4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide

C21H19ClN2O3S — CID 4655092

IUPAC4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-8-11-19(15(2)12-14)23-21(25)16-9-10-18(22)20(13-16)28(26,27)24-17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKEYLEIKVYRSFHT-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.01
Rot. Bonds5

About 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide

4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide (PubChem CID 4655092) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
PubChem CID4655092
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-8-11-19(15(2)12-14)23-21(25)16-9-10-18(22)20(13-16)28(26,27)24-17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKEYLEIKVYRSFHT-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 3587914
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide (CID 4655092) is 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide?
The InChIKey is KEYLEIKVYRSFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-8-11-19(15(2)12-14)23-21(25)16-9-10-18(22)20(13-16)28(26,27)24-17-6-4-3-5-7-17/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide?
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 4655092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).