4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H21ClN2O3S — CID 5006992

IUPAC4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-7-18(8-5-14)25-29(27,28)21-13-17(6-9-20(21)23)22(26)24-19-11-15(2)10-16(3)12-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeyLRYSTUYIZCMARZ-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 5006992) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID5006992
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-7-18(8-5-14)25-29(27,28)21-13-17(6-9-20(21)23)22(26)24-19-11-15(2)10-16(3)12-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeyLRYSTUYIZCMARZ-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 92672233
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 3587914
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4551872
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 4001092
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
4-chloro-3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80695158

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 5006992) is 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is LRYSTUYIZCMARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-4-7-18(8-5-14)25-29(27,28)21-13-17(6-9-20(21)23)22(26)24-19-11-15(2)10-16(3)12-19/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 5006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).