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

C25H27ClN2O3S — CID 126416752

IUPACN-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-5-6-19-8-12-21(13-9-19)27-25(29)20-10-14-23(26)24(16-20)32(30,31)28-22-11-7-17(2)18(3)15-22/h7-16,28H,4-6H2,1-3H3,(H,27,29)
InChIKeyWEGMBLXADIJEEZ-UHFFFAOYSA-N
MW471.02 g/mol
LogP6.35
Rot. Bonds8

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

N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 126416752) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID126416752
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC NameN-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C25H27ClN2O3S/c1-4-5-6-19-8-12-21(13-9-19)27-25(29)20-10-14-23(26)24(16-20)32(30,31)28-22-11-7-17(2)18(3)15-22/h7-16,28H,4-6H2,1-3H3,(H,27,29)
InChIKeyWEGMBLXADIJEEZ-UHFFFAOYSA-N
XLogP6.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.02
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-ethylsulfanylphenyl)benzamide
CID 30379122
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797
N-(2-aminoethyl)-3-[(4-butylphenyl)sulfamoyl]-4-methylbenzamide
CID 119384310

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (CID 126416752) is N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is WEGMBLXADIJEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c1-4-5-6-19-8-12-21(13-9-19)27-25(29)20-10-14-23(26)24(16-20)32(30,31)28-22-11-7-17(2)18(3)15-22/h7-16,28H,4-6H2,1-3H3,(H,27,29).
What are the key properties of N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 471.02 g/mol, XLogP of 6.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126416752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).