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

C11H10ClN3O2S — CID 80704391

IUPAC2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
SMILESCC(C#N)CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-8(5-13)7-15-18(16,17)11-4-9(6-14)2-3-10(11)12/h2-4,8,15H,7H2,1H3
InChIKeyIDZSCUMFNQTIRD-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.65
Rot. Bonds4

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

2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide (PubChem CID 80704391) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
PubChem CID80704391
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide
SMILESCC(C#N)CNS(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-8(5-13)7-15-18(16,17)11-4-9(6-14)2-3-10(11)12/h2-4,8,15H,7H2,1H3
InChIKeyIDZSCUMFNQTIRD-UHFFFAOYSA-N
XLogP1.65
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methylbutyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704916
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238
2-chloro-5-cyano-N-(2,3-dimethoxypropyl)benzenesulfonamide
CID 104919448
2-chloro-5-cyano-N-(5-methylhexyl)benzenesulfonamide
CID 115325652
2-chloro-N-(2-chloroethyl)-5-cyanobenzenesulfonamide
CID 80704394
2-chloro-5-cyano-N-(2-oxopropyl)benzenesulfonamide
CID 80704539
N-(2-aminoethyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704011
2-chloro-5-cyano-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 104918508
2-chloro-5-cyano-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 80704766
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
2-chloro-5-cyano-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 104918532
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide (CID 80704391) is 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide is CC(C#N)CNS(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide?
The InChIKey is IDZSCUMFNQTIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-8(5-13)7-15-18(16,17)11-4-9(6-14)2-3-10(11)12/h2-4,8,15H,7H2,1H3.
What are the key properties of 2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide?
2-chloro-5-cyano-N-(2-cyanopropyl)benzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 1.65, 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-cyanopropyl)benzenesulfonamide is sourced from PubChem (CID 80704391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).