3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide

C14H21ClN2O2S — CID 43371503

IUPAC3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10-13(15)7-12(8-14(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h7-8,11,17H,2-6,9,16H2,1H3
InChIKeyBUTANRMPLFATPO-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide

3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide (PubChem CID 43371503) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
PubChem CID43371503
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10-13(15)7-12(8-14(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h7-8,11,17H,2-6,9,16H2,1H3
InChIKeyBUTANRMPLFATPO-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.09
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

3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 60857487
3-amino-5-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 81041486
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-4-methylbenzenesulfonamide
CID 63689047
3-amino-N-(cyclohexylmethyl)-2,5-dimethylbenzenesulfonamide
CID 79888817
3-amino-N-(cyclobutylmethyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421211
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
3-amino-5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62977381
3-amino-5-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61107120
3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide (CID 43371503) is 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCC2CCCCC2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is BUTANRMPLFATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-13(15)7-12(8-14(10)16)20(18,19)17-9-11-5-3-2-4-6-11/h7-8,11,17H,2-6,9,16H2,1H3.
What are the key properties of 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43371503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).