N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide

C17H19ClN2O3S — CID 43062359

IUPACN-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)17(21)19-14-5-4-6-15(11-14)20-24(22,23)16-9-7-13(18)8-10-16/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyNYDOWZTZXXJQCG-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.13
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide

N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide (PubChem CID 43062359) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
PubChem CID43062359
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3S/c1-3-12(2)17(21)19-14-5-4-6-15(11-14)20-24(22,23)16-9-7-13(18)8-10-16/h4-12,20H,3H2,1-2H3,(H,19,21)
InChIKeyNYDOWZTZXXJQCG-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
2-(benzimidazol-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]propanamide
CID 43070770
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
CID 55965472
3-chloro-2-methyl-N-[3-(sulfamoylamino)phenyl]propanamide
CID 62726620
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 124554196
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
(2S)-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)butanamide
CID 94015658

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide (CID 43062359) is N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide?
The InChIKey is NYDOWZTZXXJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-12(2)17(21)19-14-5-4-6-15(11-14)20-24(22,23)16-9-7-13(18)8-10-16/h4-12,20H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide?
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide has a molecular weight of 366.87 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide is sourced from PubChem (CID 43062359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).