2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C81H79Cl5F6N10O15S8 — CID 173117657

IUPAC2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(Cl)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C19H17ClN2O3S.C17H19ClN2O3S2.C16H14ClF3N2O3S.C15H17ClN2O3S2.C14H12ClF3N2O3S2/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15;1-17(2,25(22,23)12-9-7-11(18)8-10-12)15(21)20-16-19-13-5-3-4-6-14(13)24-16;1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20;1-9-10(2)22-14(17-9)18-13(19)15(3,4)23(20,21)12-7-5-11(16)6-8-12;1-13(2,25(22,23)9-5-3-8(15)4-6-9)11(21)20-12-19-10(7-24-12)14(16,17)18/h3-12H,1-2H3,(H,22,23);7-10H,3-6H2,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,21,22,23);5-8H,1-4H3,(H,17,18,19);3-7H,1-2H3,(H,19,20,21)
InChIKeyVOVXYHHKFZVLLM-UHFFFAOYSA-N
MW1980.37 g/mol
LogP19.50
Rot. Bonds20

About 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 173117657) has the molecular formula C81H79Cl5F6N10O15S8 and a molecular weight of 1980.37 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID173117657
Molecular FormulaC81H79Cl5F6N10O15S8
Molecular Weight1980.37 g/mol
Exact Mass1976.18
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(Cl)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C19H17ClN2O3S.C17H19ClN2O3S2.C16H14ClF3N2O3S.C15H17ClN2O3S2.C14H12ClF3N2O3S2/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15;1-17(2,25(22,23)12-9-7-11(18)8-10-12)15(21)20-16-19-13-5-3-4-6-14(13)24-16;1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20;1-9-10(2)22-14(17-9)18-13(19)15(3,4)23(20,21)12-7-5-11(16)6-8-12;1-13(2,25(22,23)9-5-3-8(15)4-6-9)11(21)20-12-19-10(7-24-12)14(16,17)18/h3-12H,1-2H3,(H,22,23);7-10H,3-6H2,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,21,22,23);5-8H,1-4H3,(H,17,18,19);3-7H,1-2H3,(H,19,20,21)
InChIKeyVOVXYHHKFZVLLM-UHFFFAOYSA-N
XLogP19.50
TPSA380.65 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001980.37
LogP ≤ 519.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 173117657) is 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc(C(F)(F)F)cs1)S(=O)(=O)c1ccc(Cl)cc1.CC(C)(C(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc(Cl)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is VOVXYHHKFZVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S.C17H19ClN2O3S2.C16H14ClF3N2O3S.C15H17ClN2O3S2.C14H12ClF3N2O3S2/c1-19(2,26(24,25)16-9-7-14(20)8-10-16)18(23)22-15-11-13-5-3-4-6-17(13)21-12-15;1-17(2,25(22,23)12-9-7-11(18)8-10-12)15(21)20-16-19-13-5-3-4-6-14(13)24-16;1-15(2,26(24,25)11-8-6-10(17)7-9-11)14(23)22-13-5-3-4-12(21-13)16(18,19)20;1-9-10(2)22-14(17-9)18-13(19)15(3,4)23(20,21)12-7-5-11(16)6-8-12;1-13(2,25(22,23)9-5-3-8(15)4-6-9)11(21)20-12-19-10(7-24-12)14(16,17)18/h3-12H,1-2H3,(H,22,23);7-10H,3-6H2,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,21,22,23);5-8H,1-4H3,(H,17,18,19);3-7H,1-2H3,(H,19,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 1980.37 g/mol, XLogP of 19.50, 20 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-quinolin-3-ylpropanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide;2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 173117657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).