5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

C13H18ClN3O2S — CID 119974339

IUPAC5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-10-4-5-11(8-14)7-13(10)19(17,18)16-9-12-3-2-6-15-12;/h4-5,7,12,15-16H,2-3,6,9H2,1H3;1H
InChIKeyAHOJANZGYLUMPL-UHFFFAOYSA-N
MW315.83 g/mol
LogP1.32
Rot. Bonds4

About 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride

5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119974339) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119974339
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC Name5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C#N)cc1S(=O)(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-10-4-5-11(8-14)7-13(10)19(17,18)16-9-12-3-2-6-15-12;/h4-5,7,12,15-16H,2-3,6,9H2,1H3;1H
InChIKeyAHOJANZGYLUMPL-UHFFFAOYSA-N
XLogP1.32
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563212
methyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62541476
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
4-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 55084488
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
CID 97166051
N-(4-aminobutyl)-5-cyano-2-methylbenzenesulfonamide;hydrochloride
CID 120583646
3,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43120052
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride (CID 119974339) is 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is Cc1ccc(C#N)cc1S(=O)(=O)NCC1CCCN1.Cl.
What is the InChIKey of 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is AHOJANZGYLUMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c1-10-4-5-11(8-14)7-13(10)19(17,18)16-9-12-3-2-6-15-12;/h4-5,7,12,15-16H,2-3,6,9H2,1H3;1H.
What are the key properties of 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride?
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119974339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).