N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide

C14H10Cl2N2O2S — CID 169369950

IUPACN-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C#N)cc1
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-4-12(5-3-9)21(19,20)18-14-10(8-17)6-11(15)7-13(14)16/h2-7,18H,1H3
InChIKeyYFWCZTVMLYOGRP-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.97
Rot. Bonds3

About N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide

N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide (PubChem CID 169369950) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
PubChem CID169369950
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC NameN-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C#N)cc1
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-4-12(5-3-9)21(19,20)18-14-10(8-17)6-11(15)7-13(14)16/h2-7,18H,1H3
InChIKeyYFWCZTVMLYOGRP-UHFFFAOYSA-N
XLogP3.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichloro-6-iodophenyl)-4-methylbenzenesulfonamide
CID 169369916
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-[2-(3-chloro-4-cyanoanilino)ethyl]-4-methylbenzenesulfonamide
CID 133288392

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide (CID 169369950) is N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C#N)cc1.
What is the InChIKey of N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide?
The InChIKey is YFWCZTVMLYOGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-9-2-4-12(5-3-9)21(19,20)18-14-10(8-17)6-11(15)7-13(14)16/h2-7,18H,1H3.
What are the key properties of N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide?
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169369950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).