4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H18ClNO3S — CID 6737413

IUPAC4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-10-13(16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2
InChIKeyUHLLZTYXJZAGSS-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.31
Rot. Bonds4

About 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 6737413) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID6737413
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-10-13(16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2
InChIKeyUHLLZTYXJZAGSS-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634
4-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65113107
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 65112746
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
N-(1-adamantylmethyl)-4-chlorobenzenesulfonamide
CID 19575240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 6737413) is 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is UHLLZTYXJZAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-4-6-12(7-5-11)19(17,18)15-10-13(16)8-2-1-3-9-13/h4-7,15-16H,1-3,8-10H2.
What are the key properties of 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 6737413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).