N-(2-chloropropyl)-3-methylbenzenesulfonamide

C10H14ClNO2S — CID 65033837

IUPACN-(2-chloropropyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7H2,1-2H3
InChIKeyCBBMYLPGWCGWFX-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.90
Rot. Bonds4

About N-(2-chloropropyl)-3-methylbenzenesulfonamide

N-(2-chloropropyl)-3-methylbenzenesulfonamide (PubChem CID 65033837) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-methylbenzenesulfonamide
PubChem CID65033837
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC NameN-(2-chloropropyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7H2,1-2H3
InChIKeyCBBMYLPGWCGWFX-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloropropyl)-3-methylbenzenesulfonamide 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-cyanopropyl)-3-methylbenzenesulfonamide
CID 62651128
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
N-chloro-3-methylbenzenesulfonamide
CID 18672211
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloropropyl)-3-methylbenzenesulfonamide (CID 65033837) is N-(2-chloropropyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloropropyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloropropyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(C)Cl)c1.
What is the InChIKey of N-(2-chloropropyl)-3-methylbenzenesulfonamide?
The InChIKey is CBBMYLPGWCGWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-3-methylbenzenesulfonamide?
N-(2-chloropropyl)-3-methylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 65033837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).