N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide

C16H15ClN2O4S — CID 67338697

IUPACN-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Cl)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C16H15ClN2O4S/c1-23-14-9-11(5-7-15(14)24(18,21)22)6-8-16(20)19-13-4-2-3-12(17)10-13/h2-10H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyQWYLUMOPPLLJNF-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.65
Rot. Bonds5

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

N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide (PubChem CID 67338697) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
PubChem CID67338697
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC NameN-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
SMILESCOc1cc(C=CC(=O)Nc2cccc(Cl)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C16H15ClN2O4S/c1-23-14-9-11(5-7-15(14)24(18,21)22)6-8-16(20)19-13-4-2-3-12(17)10-13/h2-10H,1H3,(H,19,20)(H2,18,21,22)
InChIKeyQWYLUMOPPLLJNF-UHFFFAOYSA-N
XLogP2.65
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
(E)-3-(3-chlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140915
methyl 4-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]benzoate
CID 40632540
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
1-(3-chlorophenyl)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9480211
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 67337824
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 78611118

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide (CID 67338697) is N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide is COc1cc(C=CC(=O)Nc2cccc(Cl)c2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is QWYLUMOPPLLJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-23-14-9-11(5-7-15(14)24(18,21)22)6-8-16(20)19-13-4-2-3-12(17)10-13/h2-10H,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide?
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 366.83 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 67338697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).