N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide

C9H9ClN2O2S — CID 107625962

IUPACN-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CC#N)c1
InChIInChI=1S/C9H9ClN2O2S/c1-7-2-3-8(10)9(6-7)12-15(13,14)5-4-11/h2-3,6,12H,5H2,1H3
InChIKeyWLRLZSYSUUDTCG-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.91
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide

N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide (PubChem CID 107625962) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
PubChem CID107625962
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC NameN-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CC#N)c1
InChIInChI=1S/C9H9ClN2O2S/c1-7-2-3-8(10)9(6-7)12-15(13,14)5-4-11/h2-3,6,12H,5H2,1H3
InChIKeyWLRLZSYSUUDTCG-UHFFFAOYSA-N
XLogP1.91
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide (CID 107625962) is N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)CC#N)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide?
The InChIKey is WLRLZSYSUUDTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c1-7-2-3-8(10)9(6-7)12-15(13,14)5-4-11/h2-3,6,12H,5H2,1H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide?
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide has a molecular weight of 244.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide is sourced from PubChem (CID 107625962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).