N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide

C20H17Cl2NO2S — CID 3975457

IUPACN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2NO2S/c1-15-10-12-17(13-11-15)26(24,25)23(16-6-3-2-4-7-16)14-18-19(21)8-5-9-20(18)22/h2-13H,14H2,1H3
InChIKeyZBLSMCSKZVKGDP-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.70
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide

N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 3975457) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID3975457
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2NO2S/c1-15-10-12-17(13-11-15)26(24,25)23(16-6-3-2-4-7-16)14-18-19(21)8-5-9-20(18)22/h2-13H,14H2,1H3
InChIKeyZBLSMCSKZVKGDP-UHFFFAOYSA-N
XLogP5.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
2-[(2,6-dichlorophenyl)methyl-[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 133200617
N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 4313389
(2R)-N-butyl-2-[(2,6-dichlorophenyl)methyl-[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 100699498
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 100658466
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132639902
2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132692434
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide (CID 3975457) is N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is ZBLSMCSKZVKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-15-10-12-17(13-11-15)26(24,25)23(16-6-3-2-4-7-16)14-18-19(21)8-5-9-20(18)22/h2-13H,14H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide?
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 406.33 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3975457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).