N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide

C18H20N2O3S — CID 109058325

IUPACN-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-3-5-13(2)17(12)20-24(22,23)16-10-6-14(7-11-16)18(21)19-15-8-9-15/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyOPAICHJEGJIZRA-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.00
Rot. Bonds5

About N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide

N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 109058325) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
PubChem CID109058325
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-12-4-3-5-13(2)17(12)20-24(22,23)16-10-6-14(7-11-16)18(21)19-15-8-9-15/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyOPAICHJEGJIZRA-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(2,6-difluorophenyl)sulfamoyl]benzamide
CID 109059522
4-[(3-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058337
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388218
4-[(2-bromophenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058368
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
N-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109058391
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
CID 41246759
4-[(2,3-dimethylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426827
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide (CID 109058325) is N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is OPAICHJEGJIZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-3-5-13(2)17(12)20-24(22,23)16-10-6-14(7-11-16)18(21)19-15-8-9-15/h3-7,10-11,15,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide?
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109058325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).