N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide

C14H18ClN3O2S — CID 106737922

IUPACN-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c15-12-7-10(8-16)5-6-14(12)21(19,20)18-13(9-17)11-3-1-2-4-11/h5-7,11,13,18H,1-4,9,17H2
InChIKeyKGLDIROETLIPID-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.01
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide (PubChem CID 106737922) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
PubChem CID106737922
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClN3O2S/c15-12-7-10(8-16)5-6-14(12)21(19,20)18-13(9-17)11-3-1-2-4-11/h5-7,11,13,18H,1-4,9,17H2
InChIKeyKGLDIROETLIPID-UHFFFAOYSA-N
XLogP2.01
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
CID 65188609
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 120875562
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
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide (CID 106737922) is N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(Cl)c1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide?
The InChIKey is KGLDIROETLIPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-12-7-10(8-16)5-6-14(12)21(19,20)18-13(9-17)11-3-1-2-4-11/h5-7,11,13,18H,1-4,9,17H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.01, 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-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide is sourced from PubChem (CID 106737922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).