N-(2-chloro-3-propanoylphenyl)methanesulfonamide

C10H12ClNO3S — CID 70986123

IUPACN-(2-chloro-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1cccc(NS(C)(=O)=O)c1Cl
InChIInChI=1S/C10H12ClNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyDDGKIGVDVFEWRX-UHFFFAOYSA-N
MW261.73 g/mol
LogP2.30
Rot. Bonds4

About N-(2-chloro-3-propanoylphenyl)methanesulfonamide

N-(2-chloro-3-propanoylphenyl)methanesulfonamide (PubChem CID 70986123) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-(2-chloro-3-propanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-propanoylphenyl)methanesulfonamide
PubChem CID70986123
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC NameN-(2-chloro-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1cccc(NS(C)(=O)=O)c1Cl
InChIInChI=1S/C10H12ClNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyDDGKIGVDVFEWRX-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-3-propanoylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-3-propanoylphenyl)methanesulfonamide
CID 174353531
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
4-[2-(methanesulfonamido)phenyl]-4-oxobutanoic acid
CID 154453322
N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide
CID 174384070
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-(2-chloro-3-propanoylphenyl)-2-hydroxyacetic acid
CID 118991203
N-(2-bromo-5-propanoylphenyl)methanesulfonamide
CID 174428060
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[2-[2-[(3S)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 40840243

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-propanoylphenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-3-propanoylphenyl)methanesulfonamide (CID 70986123) is N-(2-chloro-3-propanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-propanoylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-3-propanoylphenyl)methanesulfonamide is CCC(=O)c1cccc(NS(C)(=O)=O)c1Cl.
What is the InChIKey of N-(2-chloro-3-propanoylphenyl)methanesulfonamide?
The InChIKey is DDGKIGVDVFEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3.
What are the key properties of N-(2-chloro-3-propanoylphenyl)methanesulfonamide?
N-(2-chloro-3-propanoylphenyl)methanesulfonamide has a molecular weight of 261.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-propanoylphenyl)methanesulfonamide is sourced from PubChem (CID 70986123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).