N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide

C15H20ClN3O2S — CID 119983523

IUPACN-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C15H20ClN3O2S/c16-13-7-4-8-15(12(13)9-17)22(20,21)19-14(10-18)11-5-2-1-3-6-11/h4,7-8,11,14,19H,1-3,5-6,10,18H2
InChIKeyBIAAMXYUBJDOPN-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.40
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide (PubChem CID 119983523) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
PubChem CID119983523
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1c(Cl)cccc1S(=O)(=O)NC(CN)C1CCCCC1
InChIInChI=1S/C15H20ClN3O2S/c16-13-7-4-8-15(12(13)9-17)22(20,21)19-14(10-18)11-5-2-1-3-6-11/h4,7-8,11,14,19H,1-3,5-6,10,18H2
InChIKeyBIAAMXYUBJDOPN-UHFFFAOYSA-N
XLogP2.40
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-2-cyanobenzenesulfonamide
CID 119967663

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide (CID 119983523) is N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide is N#Cc1c(Cl)cccc1S(=O)(=O)NC(CN)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide?
The InChIKey is BIAAMXYUBJDOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c16-13-7-4-8-15(12(13)9-17)22(20,21)19-14(10-18)11-5-2-1-3-6-11/h4,7-8,11,14,19H,1-3,5-6,10,18H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 119983523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).