N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide

C18H22N2O3S — CID 9141346

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-16(24(19,22)23)9-12(3)13(17)4/h5-11H,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeySBLURZZEKMICSR-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.33
Rot. Bonds4

About N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide (PubChem CID 9141346) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
PubChem CID9141346
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C18H22N2O3S/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-16(24(19,22)23)9-12(3)13(17)4/h5-11H,1-4H3,(H,20,21)(H2,19,22,23)
InChIKeySBLURZZEKMICSR-UHFFFAOYSA-N
XLogP3.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9141418
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 155947785
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
N-[(2S,3S)-1-(2,3-dimethyl-5-sulfamoylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 9257354
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 60668178

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide (CID 9141346) is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide?
The InChIKey is SBLURZZEKMICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11(2)14-5-7-15(8-6-14)18(21)20-17-10-16(24(19,22)23)9-12(3)13(17)4/h5-11H,1-4H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 9141346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).