(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

C16H15ClN2O3S — CID 9140915

IUPAC(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H15ClN2O3S/c1-11-5-7-14(10-15(11)23(18,21)22)19-16(20)8-6-12-3-2-4-13(17)9-12/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-6+
InChIKeyAPCGOQZOMJETPQ-SOFGYWHQSA-N
MW350.83 g/mol
LogP2.95
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9140915) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
PubChem CID9140915
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(N)(=O)=O
InChIInChI=1S/C16H15ClN2O3S/c1-11-5-7-14(10-15(11)23(18,21)22)19-16(20)8-6-12-3-2-4-13(17)9-12/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-6+
InChIKeyAPCGOQZOMJETPQ-SOFGYWHQSA-N
XLogP2.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 42965044
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
(E)-3-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 42994544
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
(E)-3-(3-bromophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 9106995
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 1220149

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide (CID 9140915) is (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1S(N)(=O)=O.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is APCGOQZOMJETPQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11-5-7-14(10-15(11)23(18,21)22)19-16(20)8-6-12-3-2-4-13(17)9-12/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-6+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide has a molecular weight of 350.83 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9140915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).