N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide

C20H17Cl2NO2S — CID 3688793

IUPACN-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO2S/c1-15-6-5-7-18(12-15)23(14-16-10-11-17(21)13-20(16)22)26(24,25)19-8-3-2-4-9-19/h2-13H,14H2,1H3
InChIKeyWOTMJNKGJQRYCK-UHFFFAOYSA-N
MW406.33 g/mol
LogP5.70
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide

N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 3688793) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID3688793
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C20H17Cl2NO2S/c1-15-6-5-7-18(12-15)23(14-16-10-11-17(21)13-20(16)22)26(24,25)19-8-3-2-4-9-19/h2-13H,14H2,1H3
InChIKeyWOTMJNKGJQRYCK-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-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132694225
N-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 46152460
N-[(5-chloro-2-hydroxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 54532776
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132756368
2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132694968
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51343291
(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 125079271
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 26565908
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100793374
(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 125086938
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide (CID 3688793) is N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is WOTMJNKGJQRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-15-6-5-7-18(12-15)23(14-16-10-11-17(21)13-20(16)22)26(24,25)19-8-3-2-4-9-19/h2-13H,14H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide?
N-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide 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-[(2,4-dichlorophenyl)methyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3688793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).