2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate

C17H16ClNO4S — CID 27011553

IUPAC2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESC=C(Cl)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H16ClNO4S/c1-13(18)12-23-17(20)14-7-6-10-16(11-14)24(21,22)19(2)15-8-4-3-5-9-15/h3-11H,1,12H2,2H3
InChIKeyHLJPDIAKEPQICC-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.42
Rot. Bonds6

About 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate

2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 27011553) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID27011553
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Name2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESC=C(Cl)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C17H16ClNO4S/c1-13(18)12-23-17(20)14-7-6-10-16(11-14)24(21,22)19(2)15-8-4-3-5-9-15/h3-11H,1,12H2,2H3
InChIKeyHLJPDIAKEPQICC-UHFFFAOYSA-N
XLogP3.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003002
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42970407
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4803894
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2419733
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate (CID 27011553) is 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate is C=C(Cl)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is HLJPDIAKEPQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-13(18)12-23-17(20)14-7-6-10-16(11-14)24(21,22)19(2)15-8-4-3-5-9-15/h3-11H,1,12H2,2H3.
What are the key properties of 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate?
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 365.84 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 27011553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).