3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide

C15H24N2O2S — CID 79888817

IUPAC3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-8-14(16)12(2)15(9-11)20(18,19)17-10-13-6-4-3-5-7-13/h8-9,13,17H,3-7,10,16H2,1-2H3
InChIKeyHKLHJJNIAWWJRQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide

3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79888817) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79888817
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-11-8-14(16)12(2)15(9-11)20(18,19)17-10-13-6-4-3-5-7-13/h8-9,13,17H,3-7,10,16H2,1-2H3
InChIKeyHKLHJJNIAWWJRQ-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 43371503
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-N-(2-methoxy-2-methylpropyl)-2,5-dimethylbenzenesulfonamide
CID 104758528
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
3-amino-5-chloro-N-(2-cyclopentylethyl)-2-methylbenzenesulfonamide
CID 114379038
3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79889833
3-amino-N-(cyclopentylmethyl)-2,5-diethylbenzenesulfonamide
CID 107405777
N-(cyclopentylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 43066033
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide (CID 79888817) is 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NCC2CCCCC2)c1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is HKLHJJNIAWWJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-8-14(16)12(2)15(9-11)20(18,19)17-10-13-6-4-3-5-7-13/h8-9,13,17H,3-7,10,16H2,1-2H3.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79888817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).