3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

C18H22N2O3S — CID 109062181

IUPAC3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-12(2)19-18(21)15-6-5-7-17(11-15)24(22,23)20-16-9-13(3)8-14(4)10-16/h5-12,20H,1-4H3,(H,19,21)
InChIKeyFUPWMRWRVDOUPV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds5

About 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide

3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109062181) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109062181
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-12(2)19-18(21)15-6-5-7-17(11-15)24(22,23)20-16-9-13(3)8-14(4)10-16/h5-12,20H,1-4H3,(H,19,21)
InChIKeyFUPWMRWRVDOUPV-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498995
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 109062218
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 109065704
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
3-[(4-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 132654290
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide (CID 109062181) is 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is Cc1cc(C)cc(NS(=O)(=O)c2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is FUPWMRWRVDOUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)19-18(21)15-6-5-7-17(11-15)24(22,23)20-16-9-13(3)8-14(4)10-16/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide?
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109062181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).