2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide

C11H13ClN2O3S — CID 9442250

IUPAC2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-3-6-14-11(15)9-7-8(4-5-10(9)12)18(16,17)13-2/h3-5,7,13H,1,6H2,2H3,(H,14,15)
InChIKeyOTVGKJHSZZXCRA-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.16
Rot. Bonds5

About 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide

2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide (PubChem CID 9442250) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
PubChem CID9442250
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl
InChIInChI=1S/C11H13ClN2O3S/c1-3-6-14-11(15)9-7-8(4-5-10(9)12)18(16,17)13-2/h3-5,7,13H,1,6H2,2H3,(H,14,15)
InChIKeyOTVGKJHSZZXCRA-UHFFFAOYSA-N
XLogP1.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(prop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 61292327
2-chloro-5-(methylsulfamoyl)-N-pentylbenzamide
CID 46665691
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
2-chloro-5-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713789
2-chloro-5-nitro-N-prop-2-enylbenzamide
CID 2390073
2-chloro-N-(3-cyclopentylpropyl)-5-(methylsulfamoyl)benzamide
CID 38856928
4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide (CID 9442250) is 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(S(=O)(=O)NC)ccc1Cl.
What is the InChIKey of 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide?
The InChIKey is OTVGKJHSZZXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-3-6-14-11(15)9-7-8(4-5-10(9)12)18(16,17)13-2/h3-5,7,13H,1,6H2,2H3,(H,14,15).
What are the key properties of 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide?
2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide has a molecular weight of 288.76 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylsulfamoyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 9442250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).