4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C25H27ClN2O4S — CID 92682709

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-16(2)32-21-9-6-19(7-10-21)15-27-25(29)20-8-11-22(26)24(14-20)33(30,31)28-23-12-5-17(3)13-18(23)4/h5-14,16,28H,15H2,1-4H3,(H,27,29)
InChIKeyOUTYWFJWJRUVBW-UHFFFAOYSA-N
MW487.02 g/mol
LogP5.47
Rot. Bonds8

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 92682709) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID92682709
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-16(2)32-21-9-6-19(7-10-21)15-27-25(29)20-8-11-22(26)24(14-20)33(30,31)28-23-12-5-17(3)13-18(23)4/h5-14,16,28H,15H2,1-4H3,(H,27,29)
InChIKeyOUTYWFJWJRUVBW-UHFFFAOYSA-N
XLogP5.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593011
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 126388378
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
N-[(4-methoxyphenyl)methyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062773
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99954546
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 126413796
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 92682709) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is OUTYWFJWJRUVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-16(2)32-21-9-6-19(7-10-21)15-27-25(29)20-8-11-22(26)24(14-20)33(30,31)28-23-12-5-17(3)13-18(23)4/h5-14,16,28H,15H2,1-4H3,(H,27,29).
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 487.02 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 92682709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).