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

C10H12ClNO3S — CID 10015541

IUPACN-(2-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)
InChIKeyDEEAOWFNVREKKS-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.80
Rot. Bonds3

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

N-(2-chlorophenyl)sulfonyl-2-methylpropanamide (PubChem CID 10015541) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-2-methylpropanamide
PubChem CID10015541
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC NameN-(2-chlorophenyl)sulfonyl-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13)
InChIKeyDEEAOWFNVREKKS-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-2-methylpropanamide (CID 10015541) is N-(2-chlorophenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-2-methylpropanamide?
The InChIKey is DEEAOWFNVREKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-16(14,15)9-6-4-3-5-8(9)11/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(2-chlorophenyl)sulfonyl-2-methylpropanamide?
N-(2-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-(2-chlorophenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 10015541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).