5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide

C22H29ClN2O5S — CID 38982305

IUPAC5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)(C)C)c2)cc1Cl
InChIInChI=1S/C22H29ClN2O5S/c1-14-7-8-15(11-16(14)21(26)24-10-9-22(2,3)4)31(27,28)25-18-12-17(23)19(29-5)13-20(18)30-6/h7-8,11-13,25H,9-10H2,1-6H3,(H,24,26)
InChIKeyUVDFGVZJGZXEEL-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.63
Rot. Bonds8

About 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide

5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide (PubChem CID 38982305) has the molecular formula C22H29ClN2O5S and a molecular weight of 469.00 g/mol. Its IUPAC name is 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide
PubChem CID38982305
Molecular FormulaC22H29ClN2O5S
Molecular Weight469.00 g/mol
Exact Mass468.15
IUPAC Name5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)(C)C)c2)cc1Cl
InChIInChI=1S/C22H29ClN2O5S/c1-14-7-8-15(11-16(14)21(26)24-10-9-22(2,3)4)31(27,28)25-18-12-17(23)19(29-5)13-20(18)30-6/h7-8,11-13,25H,9-10H2,1-6H3,(H,24,26)
InChIKeyUVDFGVZJGZXEEL-UHFFFAOYSA-N
XLogP4.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.00
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119502214
5-[(2-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502213
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 16573409
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46799014
2,4-dichloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]benzoate
CID 2368816
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide?
The IUPAC name of 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide (CID 38982305) is 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide.
What is the SMILES notation for 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide?
The canonical SMILES for 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide is COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)NCCC(C)(C)C)c2)cc1Cl.
What is the InChIKey of 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide?
The InChIKey is UVDFGVZJGZXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O5S/c1-14-7-8-15(11-16(14)21(26)24-10-9-22(2,3)4)31(27,28)25-18-12-17(23)19(29-5)13-20(18)30-6/h7-8,11-13,25H,9-10H2,1-6H3,(H,24,26).
What are the key properties of 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide?
5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide has a molecular weight of 469.00 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(3,3-dimethylbutyl)-2-methylbenzamide is sourced from PubChem (CID 38982305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).