4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide

C17H18N2O3S2 — CID 46533931

IUPAC4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-23-16-5-3-2-4-15(16)18-17(20)12-6-10-14(11-7-12)24(21,22)19-13-8-9-13/h2-7,10-11,13,19H,8-9H2,1H3,(H,18,20)
InChIKeyWJCRSRGMVZBRPN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.10
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide

4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 46533931) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
PubChem CID46533931
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C17H18N2O3S2/c1-23-16-5-3-2-4-15(16)18-17(20)12-6-10-14(11-7-12)24(21,22)19-13-8-9-13/h2-7,10-11,13,19H,8-9H2,1H3,(H,18,20)
InChIKeyWJCRSRGMVZBRPN-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-4-(cyclopropylsulfamoyl)benzamide
CID 40819169
4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
4-(cyclopropylsulfamoyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203522
N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 55953705
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 41318735
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-(cyclopropylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109058403
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide (CID 46533931) is 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is WJCRSRGMVZBRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-23-16-5-3-2-4-15(16)18-17(20)12-6-10-14(11-7-12)24(21,22)19-13-8-9-13/h2-7,10-11,13,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide?
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 46533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).