4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide

C22H29ClN2O3S — CID 126413394

IUPAC4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1C
InChIInChI=1S/C22H29ClN2O3S/c1-13(2)21(14(3)4)24-22(26)17-8-10-19(23)20(12-17)29(27,28)25-18-9-7-15(5)16(6)11-18/h7-14,21,25H,1-6H3,(H,24,26)
InChIKeyMBHLTWXEJUOWHG-UHFFFAOYSA-N
MW437.01 g/mol
LogP5.17
Rot. Bonds7

About 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide

4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 126413394) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID126413394
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1C
InChIInChI=1S/C22H29ClN2O3S/c1-13(2)21(14(3)4)24-22(26)17-8-10-19(23)20(12-17)29(27,28)25-18-9-7-15(5)16(6)11-18/h7-14,21,25H,1-6H3,(H,24,26)
InChIKeyMBHLTWXEJUOWHG-UHFFFAOYSA-N
XLogP5.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.01
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
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]benzamide
CID 1266797
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 94020007
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305
4-chloro-3-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methyl-N-propan-2-ylbenzamide
CID 78843928

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide (CID 126413394) is 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is MBHLTWXEJUOWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-13(2)21(14(3)4)24-22(26)17-8-10-19(23)20(12-17)29(27,28)25-18-9-7-15(5)16(6)11-18/h7-14,21,25H,1-6H3,(H,24,26).
What are the key properties of 4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 437.01 g/mol, XLogP of 5.17, 7 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-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126413394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).