(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide

C16H15ClN2O3S — CID 9413091

IUPAC(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H15ClN2O3S/c1-11-5-6-12(9-15(11)17)7-8-16(20)19-13-3-2-4-14(10-13)23(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-7+
InChIKeyGYEQGZOSQDSIQW-BQYQJAHWSA-N
MW350.83 g/mol
LogP2.95
Rot. Bonds4

About (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide

(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (PubChem CID 9413091) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
PubChem CID9413091
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C16H15ClN2O3S/c1-11-5-6-12(9-15(11)17)7-8-16(20)19-13-3-2-4-14(10-13)23(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-7+
InChIKeyGYEQGZOSQDSIQW-BQYQJAHWSA-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

3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783784
(E)-3-phenyl-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5348189
(E)-3-(3-chloro-4-methylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]prop-2-enamide
CID 26846568
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 34752671
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531
(E)-3-(3,4-dichlorophenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide
CID 9141558
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide (CID 9413091) is (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
The InChIKey is GYEQGZOSQDSIQW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11-5-6-12(9-15(11)17)7-8-16(20)19-13-3-2-4-14(10-13)23(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b8-7+.
What are the key properties of (E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide?
(E)-3-(3-chloro-4-methylphenyl)-N-(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-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 9413091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).