3-chloro-N-cycloheptylbenzenesulfonamide

C13H18ClNO2S — CID 2415602

IUPAC3-chloro-N-cycloheptylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c14-11-6-5-9-13(10-11)18(16,17)15-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8H2
InChIKeyJRHKHMMUKGPGBM-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.34
Rot. Bonds3

About 3-chloro-N-cycloheptylbenzenesulfonamide

3-chloro-N-cycloheptylbenzenesulfonamide (PubChem CID 2415602) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 3-chloro-N-cycloheptylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cycloheptylbenzenesulfonamide
PubChem CID2415602
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name3-chloro-N-cycloheptylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO2S/c14-11-6-5-9-13(10-11)18(16,17)15-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8H2
InChIKeyJRHKHMMUKGPGBM-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-4-chlorobenzenesulfonamide
CID 101303
4-chloro-N-cycloheptylbenzenesulfonamide
CID 710424
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzenesulfonamide
CID 3465734
3-Chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 582392
4-chloro-N-cyclopropylbenzenesulfonamide
CID 847957
4-Chloro-n-propylbenzenesulfonamide
CID 101302
2-chloro-N-cyclopentylbenzenesulfonamide
CID 2551988
3-chloro-N-methylbenzenesulfonamide
CID 4535700
4-chloro-N-cyclohexylbenzenesulfonamide
CID 766387
2,5-dichloro-N-cyclohexylbenzenesulfonamide
CID 838585
N-cycloheptylbenzenesulfonamide
CID 799160
4-Chloro-n-ethylbenzenesulfonamide
CID 233026

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cycloheptylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-cycloheptylbenzenesulfonamide (CID 2415602) is 3-chloro-N-cycloheptylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cycloheptylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-cycloheptylbenzenesulfonamide is O=S(=O)(NC1CCCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-cycloheptylbenzenesulfonamide?
The InChIKey is JRHKHMMUKGPGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-11-6-5-9-13(10-11)18(16,17)15-12-7-3-1-2-4-8-12/h5-6,9-10,12,15H,1-4,7-8H2.
What are the key properties of 3-chloro-N-cycloheptylbenzenesulfonamide?
3-chloro-N-cycloheptylbenzenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cycloheptylbenzenesulfonamide is sourced from PubChem (CID 2415602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).