(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

C16H14Cl2N2O3S — CID 1313185

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyURJFRYCOLQKSTB-XBXARRHUSA-N
MW385.27 g/mol
LogP2.97
Rot. Bonds5

About (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (PubChem CID 1313185) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
PubChem CID1313185
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+
InChIKeyURJFRYCOLQKSTB-XBXARRHUSA-N
XLogP2.97
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.97
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

2-(4-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 3970972
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
2-chloro-N-[1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]benzenesulfonamide
CID 1483027
4-chloro-N-[(3,4-dichlorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444056
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]benzenesulfonamide
CID 1483022
4-chloro-N-[1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]benzenesulfonamide
CID 1483025
N-[1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydro-3-pyridinyl]-4-methylbenzenesulfonamide
CID 1483026
3-chloro-N-(4-sulfamoylbenzyl)benzamide
CID 2107273
N-[(3,4-Dichlorophenyl)methyl]-3-(4-methylbenzenesulfonamido)propanamide
CID 4141822
N-[2-(4-chlorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8362560
N-{(2S)-1-[(3,4-dichlorobenzyl)amino]-1-oxopropan-2-yl}-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585797
3-(3,4-dichlorophenyl)-N-[5-[4-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propyl]piperidin-1-yl]pentyl]prop-2-enamide
CID 44533730

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide (CID 1313185) is (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
The InChIKey is URJFRYCOLQKSTB-XBXARRHUSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c17-14-7-3-11(9-15(14)18)4-8-16(21)20-10-12-1-5-13(6-2-12)24(19,22)23/h1-9H,10H2,(H,20,21)(H2,19,22,23)/b8-4+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide has a molecular weight of 385.27 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 1313185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).