N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

C22H22ClNO2S — CID 4313389

IUPACN-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2c(C)cccc2C)cc1
InChIInChI=1S/C22H22ClNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(15-19-9-4-5-10-21(19)23)22-17(2)7-6-8-18(22)3/h4-14H,15H2,1-3H3
InChIKeyYRHMYWKCCHNVFS-UHFFFAOYSA-N
MW399.94 g/mol
LogP5.66
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 4313389) has the molecular formula C22H22ClNO2S and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID4313389
Molecular FormulaC22H22ClNO2S
Molecular Weight399.94 g/mol
Exact Mass399.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2c(C)cccc2C)cc1
InChIInChI=1S/C22H22ClNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(15-19-9-4-5-10-21(19)23)22-17(2)7-6-8-18(22)3/h4-14H,15H2,1-3H3
InChIKeyYRHMYWKCCHNVFS-UHFFFAOYSA-N
XLogP5.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 3953027
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 14611924
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
1-chloro-2-[(4-methylphenyl)sulfonylsulfanylmethyl]benzene
CID 23464236
N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30229871
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
(2S)-2-[(2-chlorophenyl)methyl-[2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100695749
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide (CID 4313389) is N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2c(C)cccc2C)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is YRHMYWKCCHNVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(15-19-9-4-5-10-21(19)23)22-17(2)7-6-8-18(22)3/h4-14H,15H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 399.94 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 4313389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).