N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide

C14H20ClNO3S — CID 102873415

IUPACN-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCCl)C2CCC2)cc1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16(11-3-10-15)12-4-2-5-12/h6-9,12H,2-5,10-11H2,1H3
InChIKeyPYPZJGLWQBGHNU-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.87
Rot. Bonds7

About N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide

N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide (PubChem CID 102873415) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
PubChem CID102873415
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC NameN-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCCl)C2CCC2)cc1
InChIInChI=1S/C14H20ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16(11-3-10-15)12-4-2-5-12/h6-9,12H,2-5,10-11H2,1H3
InChIKeyPYPZJGLWQBGHNU-UHFFFAOYSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide 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

4-bromo-N-(3-chloropropyl)-N-cyclobutylbenzenesulfonamide
CID 102873427
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 4691018
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971314
2-[3-chloropropyl-(4-methoxyphenyl)sulfonylamino]prop-2-enoic acid
CID 22644951
3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 102847558
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
3,5-dichloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 27664683

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide (CID 102873415) is N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCCl)C2CCC2)cc1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide?
The InChIKey is PYPZJGLWQBGHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-19-13-6-8-14(9-7-13)20(17,18)16(11-3-10-15)12-4-2-5-12/h6-9,12H,2-5,10-11H2,1H3.
What are the key properties of N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide?
N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102873415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).