2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

C14H20ClNO3S — CID 65122738

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3S/c15-12-7-3-4-8-13(12)20(18,19)16-11-14(17)9-5-1-2-6-10-14/h3-4,7-8,16-17H,1-2,5-6,9-11H2
InChIKeyAZYHAFQCRMUDLZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (PubChem CID 65122738) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
PubChem CID65122738
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClNO3S/c15-12-7-3-4-8-13(12)20(18,19)16-11-14(17)9-5-1-2-6-10-14/h3-4,7-8,16-17H,1-2,5-6,9-11H2
InChIKeyAZYHAFQCRMUDLZ-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1-hydroxycycloheptyl)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

3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121838
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084
N-[(1-hydroxycyclobutyl)methyl]-2-methoxybenzenesulfonamide
CID 115753878
2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 65032608
N-ethyl-2-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110425
methyl 4-chloro-3-[(1-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 115754031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (CID 65122738) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The InChIKey is AZYHAFQCRMUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c15-12-7-3-4-8-13(12)20(18,19)16-11-14(17)9-5-1-2-6-10-14/h3-4,7-8,16-17H,1-2,5-6,9-11H2.
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65122738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).