2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid

C154H193N19O28S3 — CID 176541087

IUPAC2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1ccccc1C(N)=O.CC(C)c1ccncn1.CC(C)c1cncnc1C(=O)O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O
InChIInChI=1S/C17H18O3S.C14H18O3S.C12H16O3S.C10H12N4.C10H14N2O2.3C10H13NO.2C10H12O2.C9H12N2O2.3C8H10N2O2.C7H10N2.CO2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-5(2)6-3-9-4-10-7(6)8(11)12;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-6(2)7-3-4-8-5-9-7;2-1-3/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12,13,14);5-6H,1-4H3;3*3-7H,1-2H3,(H2,11,12);2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3,(H,12,13);3*3-5H,1-2H3,(H,11,12);3-6H,1-2H3;
InChIKeyPJWQSLNZWAOKFR-UHFFFAOYSA-N
MW2854.54 g/mol
LogP29.02
Rot. Bonds37

About 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid

2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 176541087) has the molecular formula C154H193N19O28S3 and a molecular weight of 2854.54 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID176541087
Molecular FormulaC154H193N19O28S3
Molecular Weight2854.54 g/mol
Exact Mass2852.34
IUPAC Name2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1ccccc1C(N)=O.CC(C)c1ccncn1.CC(C)c1cncnc1C(=O)O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O
InChIInChI=1S/C17H18O3S.C14H18O3S.C12H16O3S.C10H12N4.C10H14N2O2.3C10H13NO.2C10H12O2.C9H12N2O2.3C8H10N2O2.C7H10N2.CO2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-5(2)6-3-9-4-10-7(6)8(11)12;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-6(2)7-3-4-8-5-9-7;2-1-3/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12,13,14);5-6H,1-4H3;3*3-7H,1-2H3,(H2,11,12);2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3,(H,12,13);3*3-5H,1-2H3,(H,11,12);3-6H,1-2H3;
InChIKeyPJWQSLNZWAOKFR-UHFFFAOYSA-N
XLogP29.02
TPSA776.28 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002854.54
LogP ≤ 529.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
CID 157715606
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
CID 159964654
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;5-chloro-2-propan-2-ylbenzoic acid;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;5-fluoro-2-propan-2-ylbenzoic acid;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;5-methylsulfonyl-2-propan-2-ylbenzoic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid
CID 176523769

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid (CID 176541087) is 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(N)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1-c1nn[nH]n1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1ccccc1C(N)=O.CC(C)c1ccncn1.CC(C)c1cncnc1C(=O)O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnccc1C(=O)O.COC(=O)c1cc(C)nc(C(C)C)n1.Cc1cc(C(=O)O)nc(C(C)C)n1.O=C=O.
What is the InChIKey of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is PJWQSLNZWAOKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S.C14H18O3S.C12H16O3S.C10H12N4.C10H14N2O2.3C10H13NO.2C10H12O2.C9H12N2O2.3C8H10N2O2.C7H10N2.CO2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)8-5-3-4-6-9(8)10-11-13-14-12-10;1-6(2)9-11-7(3)5-8(12-9)10(13)14-4;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-5-3-4-6-9(8)10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-5(2)8-10-6(3)4-7(11-8)9(12)13;1-5(2)6-3-9-4-10-7(6)8(11)12;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-6(2)7-3-4-8-5-9-7;2-1-3/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;4-7,9H,8H2,1-3H3;3-7H,1-2H3,(H,11,12,13,14);5-6H,1-4H3;3*3-7H,1-2H3,(H2,11,12);2*3-7H,1-2H3,(H,11,12);4-5H,1-3H3,(H,12,13);3*3-5H,1-2H3,(H,11,12);3-6H,1-2H3;.
What are the key properties of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid?
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 2854.54 g/mol, XLogP of 29.02, 37 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;carbon dioxide;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;methyl 6-methyl-2-propan-2-ylpyrimidine-4-carboxylate;6-methyl-2-propan-2-ylpyrimidine-4-carboxylic acid;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-(2-propan-2-ylphenyl)-2H-tetrazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-ylpyridazine-4-carboxylic acid;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 176541087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).