4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

C14H22N2O3S — CID 65102885

IUPAC4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(15)5-6-13(11)20(18,19)16-10-14(17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyKAEDFBNODHMJGP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide

4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 65102885) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
PubChem CID65102885
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-11-9-12(15)5-6-13(11)20(18,19)16-10-14(17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyKAEDFBNODHMJGP-UHFFFAOYSA-N
XLogP1.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide 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

4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
5-amino-4-bromo-N-[(1-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 114626267
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-nitrobenzenesulfonamide
CID 115753946
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
CID 65102883
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide (CID 65102885) is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is KAEDFBNODHMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-9-12(15)5-6-13(11)20(18,19)16-10-14(17)7-3-2-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3.
What are the key properties of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide?
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 65102885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).