3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H17Cl2NO3S — CID 103835805

IUPAC3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8H2
InChIKeyYKCYVWWLGHCXRO-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.82
Rot. Bonds4

About 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 103835805) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID103835805
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(O)C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H17Cl2NO3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8H2
InChIKeyYKCYVWWLGHCXRO-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[(3-hydroxycyclohexyl)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

N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
3-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 103270183
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 103835805) is 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1CCCC(O)C1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is YKCYVWWLGHCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8H2.
What are the key properties of 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103835805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).