3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide

C17H18N2O3S — CID 30856164

IUPAC3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-19(15-7-3-2-4-8-15)17(20)13-6-5-9-16(12-13)23(21,22)18-14-10-11-14/h2-9,12,14,18H,10-11H2,1H3
InChIKeyCIZZMJQAEKYXIM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.40
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide

3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide (PubChem CID 30856164) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
PubChem CID30856164
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-19(15-7-3-2-4-8-15)17(20)13-6-5-9-16(12-13)23(21,22)18-14-10-11-14/h2-9,12,14,18H,10-11H2,1H3
InChIKeyCIZZMJQAEKYXIM-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3-(cyclopropylsulfamoyl)benzoate
CID 55383614
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
3-(cyclopropylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 46647625
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
5-[[[3-(cyclopropylsulfamoyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222473
3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide (CID 30856164) is 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The InChIKey is CIZZMJQAEKYXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-19(15-7-3-2-4-8-15)17(20)13-6-5-9-16(12-13)23(21,22)18-14-10-11-14/h2-9,12,14,18H,10-11H2,1H3.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide?
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide has a molecular weight of 330.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 30856164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).