N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide

C9H10ClN3O2S — CID 80704011

IUPACN-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCN)c1
InChIInChI=1S/C9H10ClN3O2S/c10-8-2-1-7(6-12)5-9(8)16(14,15)13-4-3-11/h1-2,5,13H,3-4,11H2
InChIKeyNOQNOHFNGPIZPR-UHFFFAOYSA-N
MW259.72 g/mol
LogP0.45
Rot. Bonds4

About N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide

N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide (PubChem CID 80704011) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
PubChem CID80704011
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC NameN-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)NCCN)c1
InChIInChI=1S/C9H10ClN3O2S/c10-8-2-1-7(6-12)5-9(8)16(14,15)13-4-3-11/h1-2,5,13H,3-4,11H2
InChIKeyNOQNOHFNGPIZPR-UHFFFAOYSA-N
XLogP0.45
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-5-cyano-N-hex-5-ynylbenzenesulfonamide
CID 104919304
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(2-amino-3-methylbutyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704916
2-chloro-5-cyano-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 104918508
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 114332498

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide (CID 80704011) is N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is NOQNOHFNGPIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c10-8-2-1-7(6-12)5-9(8)16(14,15)13-4-3-11/h1-2,5,13H,3-4,11H2.
What are the key properties of N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide?
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide has a molecular weight of 259.72 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 80704011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).