N-(2-cyanopropyl)-3-methylbenzenesulfonamide

C11H14N2O2S — CID 62651128

IUPACN-(2-cyanopropyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-9-4-3-5-11(6-9)16(14,15)13-8-10(2)7-12/h3-6,10,13H,8H2,1-2H3
InChIKeyICXRBKKJGJPMQD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.43
Rot. Bonds4

About N-(2-cyanopropyl)-3-methylbenzenesulfonamide

N-(2-cyanopropyl)-3-methylbenzenesulfonamide (PubChem CID 62651128) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-methylbenzenesulfonamide
PubChem CID62651128
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2-cyanopropyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)C#N)c1
InChIInChI=1S/C11H14N2O2S/c1-9-4-3-5-11(6-9)16(14,15)13-8-10(2)7-12/h3-6,10,13H,8H2,1-2H3
InChIKeyICXRBKKJGJPMQD-UHFFFAOYSA-N
XLogP1.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(2-cyanopropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 71983613
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
CID 63287874
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-methylbenzenesulfonamide
CID 99858304
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(3-cyanopentan-3-yl)-3-methylbenzenesulfonamide
CID 61123518
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-3-methylbenzenesulfonamide (CID 62651128) is N-(2-cyanopropyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(C)C#N)c1.
What is the InChIKey of N-(2-cyanopropyl)-3-methylbenzenesulfonamide?
The InChIKey is ICXRBKKJGJPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-9-4-3-5-11(6-9)16(14,15)13-8-10(2)7-12/h3-6,10,13H,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-3-methylbenzenesulfonamide?
N-(2-cyanopropyl)-3-methylbenzenesulfonamide has a molecular weight of 238.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 62651128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).