2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide

C10H9ClN2O3S — CID 80704539

IUPAC2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-7(14)6-13-17(15,16)10-4-8(5-12)2-3-9(10)11/h2-4,13H,6H2,1H3
InChIKeyGHHMIBIFGRKBDX-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.08
Rot. Bonds4

About 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide

2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide (PubChem CID 80704539) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
PubChem CID80704539
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C10H9ClN2O3S/c1-7(14)6-13-17(15,16)10-4-8(5-12)2-3-9(10)11/h2-4,13H,6H2,1H3
InChIKeyGHHMIBIFGRKBDX-UHFFFAOYSA-N
XLogP1.08
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
CID 80704391
2-chloro-5-cyano-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
CID 114332498
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
N-(2-amino-3-methylbutyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704916
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-5-cyano-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 80704097
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide (CID 80704539) is 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide is CC(=O)CNS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide?
The InChIKey is GHHMIBIFGRKBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-7(14)6-13-17(15,16)10-4-8(5-12)2-3-9(10)11/h2-4,13H,6H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide?
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide has a molecular weight of 272.71 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 80704539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).