3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide

C14H22N2O3S — CID 65102883

IUPAC3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-11-7-12(15)9-13(8-11)20(18,19)16-10-14(17)5-3-2-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3
InChIKeySSZRQVXLSZMYJD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide

3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide (PubChem CID 65102883) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
PubChem CID65102883
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C14H22N2O3S/c1-11-7-12(15)9-13(8-11)20(18,19)16-10-14(17)5-3-2-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3
InChIKeySSZRQVXLSZMYJD-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'}

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Related Compounds

N-[(3-hydroxy-1,1-dioxothian-3-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 166400146
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
CID 116791950
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide (CID 65102883) is 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is SSZRQVXLSZMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-7-12(15)9-13(8-11)20(18,19)16-10-14(17)5-3-2-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3.
What are the key properties of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide?
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-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 3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 65102883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).