4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide

C18H21N3O5S2 — CID 166183381

IUPAC4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C18H21N3O5S2/c1-12-11-15(7-10-17(12)28(25,26)19-2)20-18(22)13-3-8-16(9-4-13)27(23,24)21-14-5-6-14/h3-4,7-11,14,19,21H,5-6H2,1-2H3,(H,20,22)
InChIKeyFVZXVJDYHUVFRN-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.60
Rot. Bonds7

About 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide

4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 166183381) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide
PubChem CID166183381
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC Name4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C18H21N3O5S2/c1-12-11-15(7-10-17(12)28(25,26)19-2)20-18(22)13-3-8-16(9-4-13)27(23,24)21-14-5-6-14/h3-4,7-11,14,19,21H,5-6H2,1-2H3,(H,20,22)
InChIKeyFVZXVJDYHUVFRN-UHFFFAOYSA-N
XLogP1.60
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 46550501
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide (CID 166183381) is 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is FVZXVJDYHUVFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-12-11-15(7-10-17(12)28(25,26)19-2)20-18(22)13-3-8-16(9-4-13)27(23,24)21-14-5-6-14/h3-4,7-11,14,19,21H,5-6H2,1-2H3,(H,20,22).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 423.52 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 166183381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).