5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide

C13H21N3O3S — CID 102631363

IUPAC5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
SMILESCN(c1ccc(N)cc1S(N)(=O)=O)C1CCCCC1O
InChIInChI=1S/C13H21N3O3S/c1-16(10-4-2-3-5-12(10)17)11-7-6-9(14)8-13(11)20(15,18)19/h6-8,10,12,17H,2-5,14H2,1H3,(H2,15,18,19)
InChIKeyVAACFKACTVPDJP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.66
Rot. Bonds3

About 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide

5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide (PubChem CID 102631363) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
PubChem CID102631363
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
SMILESCN(c1ccc(N)cc1S(N)(=O)=O)C1CCCCC1O
InChIInChI=1S/C13H21N3O3S/c1-16(10-4-2-3-5-12(10)17)11-7-6-9(14)8-13(11)20(15,18)19/h6-8,10,12,17H,2-5,14H2,1H3,(H2,15,18,19)
InChIKeyVAACFKACTVPDJP-UHFFFAOYSA-N
XLogP0.66
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
CID 102631347
4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102631283
2-[4-(hydroxymethyl)-N,2-dimethylanilino]cyclohexan-1-ol
CID 102632814
2-(N-methyl-4-methylsulfonylanilino)cyclohexan-1-ol
CID 102635903
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
5-bromo-2-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 102632143
6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
CID 136809356
4-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]-N-methyl-3-nitrobenzenesulfonamide
CID 86801776
2-(N-methyl-2,4-dinitroanilino)cyclohexan-1-ol
CID 102636088

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide (CID 102631363) is 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide is CN(c1ccc(N)cc1S(N)(=O)=O)C1CCCCC1O.
What is the InChIKey of 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide?
The InChIKey is VAACFKACTVPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(10-4-2-3-5-12(10)17)11-7-6-9(14)8-13(11)20(15,18)19/h6-8,10,12,17H,2-5,14H2,1H3,(H2,15,18,19).
What are the key properties of 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide?
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide is sourced from PubChem (CID 102631363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).