4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide

C14H16ClNO2S — CID 134103778

IUPAC4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
SMILESC#CC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H16ClNO2S/c1-2-14(10-4-3-5-11-14)16-19(17,18)13-8-6-12(15)7-9-13/h1,6-9,16H,3-5,10-11H2
InChIKeyDQAQMRDYRVTOKF-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.95
Rot. Bonds3

About 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide

4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide (PubChem CID 134103778) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
PubChem CID134103778
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
SMILESC#CC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H16ClNO2S/c1-2-14(10-4-3-5-11-14)16-19(17,18)13-8-6-12(15)7-9-13/h1,6-9,16H,3-5,10-11H2
InChIKeyDQAQMRDYRVTOKF-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trichloro-N-(1-ethynylcyclohexyl)benzenesulfonamide
CID 134117998
1-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 4252683
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
5-[(1-ethynylcyclopropyl)sulfamoyl]-2-fluorobenzamide
CID 169187126
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 2097919
6-cyano-N-(1-cyanocycloheptyl)pyridine-3-sulfonamide
CID 114613786
sodium;(Z)-8-[1-[(4-chlorophenyl)sulfonylamino]cyclopentyl]oct-5-enoic acid;hydride
CID 173348194
N-(1-ethynylcyclohexyl)-4-[(7-methyl-6-oxo-5H-pyrimido[5,4-d][1]benzazepin-2-yl)amino]benzenesulfonamide
CID 59851510
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562
N-[1-(3,5-dichlorobenzoyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 10387732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide (CID 134103778) is 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide is C#CC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
The InChIKey is DQAQMRDYRVTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-14(10-4-3-5-11-14)16-19(17,18)13-8-6-12(15)7-9-13/h1,6-9,16H,3-5,10-11H2.
What are the key properties of 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide?
4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide has a molecular weight of 297.81 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethynylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 134103778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).