4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

C16H24ClNO2S — CID 107402746

IUPAC4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-18(13-15-5-3-6-15)21(19,20)16-10-8-14(9-11-16)7-4-12-17/h8-11,15H,2-7,12-13H2,1H3
InChIKeyDLDCZJUQFPNFSV-UHFFFAOYSA-N
MW329.89 g/mol
LogP3.67
Rot. Bonds8

About 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 107402746) has the molecular formula C16H24ClNO2S and a molecular weight of 329.89 g/mol. Its IUPAC name is 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
PubChem CID107402746
Molecular FormulaC16H24ClNO2S
Molecular Weight329.89 g/mol
Exact Mass329.12
IUPAC Name4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1ccc(CCCCl)cc1
InChIInChI=1S/C16H24ClNO2S/c1-2-18(13-15-5-3-6-15)21(19,20)16-10-8-14(9-11-16)7-4-12-17/h8-11,15H,2-7,12-13H2,1H3
InChIKeyDLDCZJUQFPNFSV-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.89
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide 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-(3-chloropropyl)-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 62924163
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
4-(2-chloroethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43662724
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]phenyl]ethanethioamide
CID 79195550
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
2-[cyclopropylmethyl-(4-propylphenyl)sulfonylamino]acetic acid
CID 43656275
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
N-[[1-[[4-(2-chloroethyl)phenyl]methyl]cyclobutyl]methyl]-N-(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 11976138
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (CID 107402746) is 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1ccc(CCCCl)cc1.
What is the InChIKey of 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is DLDCZJUQFPNFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2S/c1-2-18(13-15-5-3-6-15)21(19,20)16-10-8-14(9-11-16)7-4-12-17/h8-11,15H,2-7,12-13H2,1H3.
What are the key properties of 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 329.89 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 107402746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).