2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide

C17H19ClN2O3S — CID 50893600

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)15-5-3-4-6-16(15)20(11-17(19)21)24(22,23)14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H2,19,21)
InChIKeyLGCVVVXNMZBSNA-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.14
Rot. Bonds6

About 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide (PubChem CID 50893600) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
PubChem CID50893600
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
SMILESCC(C)c1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(2)15-5-3-4-6-16(15)20(11-17(19)21)24(22,23)14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H2,19,21)
InChIKeyLGCVVVXNMZBSNA-UHFFFAOYSA-N
XLogP3.14
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893629
2-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893671
4-bromo-N-(2-hydrazinyl-2-oxoethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 50893745
methyl 2-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)acetate
CID 50893640
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
3-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893700
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(N-(3-nitrophenyl)sulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893687
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
2-(N-(4-bromophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 50893491
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide (CID 50893600) is 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide is CC(C)c1ccccc1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide?
The InChIKey is LGCVVVXNMZBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(2)15-5-3-4-6-16(15)20(11-17(19)21)24(22,23)14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3,(H2,19,21).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 50893600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).