N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide

C11H14ClNO2S — CID 66005680

IUPACN-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)c1ccccc1
InChIInChI=1S/C11H14ClNO2S/c12-10-6-9(7-10)8-13-16(14,15)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2
InChIKeyDUJLYMZSYYEXCX-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.98
Rot. Bonds4

About N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide

N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide (PubChem CID 66005680) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
PubChem CID66005680
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC NameN-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)c1ccccc1
InChIInChI=1S/C11H14ClNO2S/c12-10-6-9(7-10)8-13-16(14,15)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2
InChIKeyDUJLYMZSYYEXCX-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide 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-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007398
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzenesulfonamide
CID 106136048
2,5-dichloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66007400
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 3444645
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
CID 106135299

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide (CID 66005680) is N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CC(Cl)C1)c1ccccc1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
The InChIKey is DUJLYMZSYYEXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-10-6-9(7-10)8-13-16(14,15)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide?
N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide has a molecular weight of 259.76 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66005680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).