N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

C17H18N2O5S2 — CID 9071953

IUPACN-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H18N2O5S2/c1-3-10-18-26(23,24)16-9-4-6-13(11-16)17(20)19-14-7-5-8-15(12-14)25(2,21)22/h3-9,11-12,18H,1,10H2,2H3,(H,19,20)
InChIKeyJKZLYCLLQSZQEW-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.81
Rot. Bonds7

About N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9071953) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9071953
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H18N2O5S2/c1-3-10-18-26(23,24)16-9-4-6-13(11-16)17(20)19-14-7-5-8-15(12-14)25(2,21)22/h3-9,11-12,18H,1,10H2,2H3,(H,19,20)
InChIKeyJKZLYCLLQSZQEW-UHFFFAOYSA-N
XLogP1.81
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-(1H-indazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 134037441
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-[[3-(butanoylamino)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55844311
3-(prop-2-enylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109062412
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 71850107

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 9071953) is N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is JKZLYCLLQSZQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-3-10-18-26(23,24)16-9-4-6-13(11-16)17(20)19-14-7-5-8-15(12-14)25(2,21)22/h3-9,11-12,18H,1,10H2,2H3,(H,19,20).
What are the key properties of N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9071953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).