4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

C15H22ClNO3S — CID 103858722

IUPAC4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1ccc(CCCl)cc1
InChIInChI=1S/C15H22ClNO3S/c16-10-9-12-5-7-14(8-6-12)21(19,20)17-15-4-2-1-3-13(15)11-18/h5-8,13,15,17-18H,1-4,9-11H2
InChIKeyPRXNSMVKMACZJH-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.30
Rot. Bonds6

About 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide

4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (PubChem CID 103858722) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
PubChem CID103858722
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CO)c1ccc(CCCl)cc1
InChIInChI=1S/C15H22ClNO3S/c16-10-9-12-5-7-14(8-6-12)21(19,20)17-15-4-2-1-3-13(15)11-18/h5-8,13,15,17-18H,1-4,9-11H2
InChIKeyPRXNSMVKMACZJH-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 23699670
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
4-(2-chloroethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 43662590
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106364168
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide (CID 103858722) is 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1CO)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is PRXNSMVKMACZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c16-10-9-12-5-7-14(8-6-12)21(19,20)17-15-4-2-1-3-13(15)11-18/h5-8,13,15,17-18H,1-4,9-11H2.
What are the key properties of 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 103858722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).