N-(3-chlorophenyl)sulfonyl-2-methylpropanamide

C10H12ClNO3S — CID 47269833

IUPACN-(3-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyZDOLDFRRZKGZEX-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.80
Rot. Bonds3

About N-(3-chlorophenyl)sulfonyl-2-methylpropanamide

N-(3-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 47269833) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID47269833
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC NameN-(3-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyZDOLDFRRZKGZEX-UHFFFAOYSA-N
XLogP1.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
CID 87011358
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-2-methylpropanamide (CID 47269833) is N-(3-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is ZDOLDFRRZKGZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(3-chlorophenyl)sulfonyl-2-methylpropanamide?
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide has a molecular weight of 261.73 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 47269833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).