2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide

C13H20N2O3S — CID 106130341

IUPAC2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c14-19(17,18)13-4-2-1-3-12(13)15-9-10-5-7-11(16)8-6-10/h1-4,10-11,15-16H,5-9H2,(H2,14,17,18)
InChIKeyWKTBBMRYZKIDID-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.30
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide

2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide (PubChem CID 106130341) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
PubChem CID106130341
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC1CCC(O)CC1
InChIInChI=1S/C13H20N2O3S/c14-19(17,18)13-4-2-1-3-12(13)15-9-10-5-7-11(16)8-6-10/h1-4,10-11,15-16H,5-9H2,(H2,14,17,18)
InChIKeyWKTBBMRYZKIDID-UHFFFAOYSA-N
XLogP1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thian-4-ylmethylamino)benzenesulfonamide
CID 113487772
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
CID 60972017
2-(morpholin-2-ylmethylamino)benzenesulfonamide
CID 113287209
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106120085
2-cyclobutyl-N-(2-sulfamoylphenyl)acetamide
CID 103166193
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119
N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]benzenesulfonamide
CID 66007000

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide (CID 106130341) is 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide?
The InChIKey is WKTBBMRYZKIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-19(17,18)13-4-2-1-3-12(13)15-9-10-5-7-11(16)8-6-10/h1-4,10-11,15-16H,5-9H2,(H2,14,17,18).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide?
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106130341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).