2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide

C16H13Cl2NO3S — CID 69432024

IUPAC2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
SMILESC/C(=C/c1ccccc1)S(=O)(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO3S/c1-11(9-12-5-3-2-4-6-12)23(21,22)19-16(20)14-8-7-13(17)10-15(14)18/h2-10H,1H3,(H,19,20)/b11-9-
InChIKeyRKYYKHAPRUVSBD-LUAWRHEFSA-N
MW370.26 g/mol
LogP4.11
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide

2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide (PubChem CID 69432024) has the molecular formula C16H13Cl2NO3S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
PubChem CID69432024
Molecular FormulaC16H13Cl2NO3S
Molecular Weight370.26 g/mol
Exact Mass369.00
IUPAC Name2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
SMILESC/C(=C/c1ccccc1)S(=O)(=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2NO3S/c1-11(9-12-5-3-2-4-6-12)23(21,22)19-16(20)14-8-7-13(17)10-15(14)18/h2-10H,1H3,(H,19,20)/b11-9-
InChIKeyRKYYKHAPRUVSBD-LUAWRHEFSA-N
XLogP4.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-2,4-dichlorobenzamide
CID 5031566
2,4-dichloro-N-(2-pyridin-2-ylethenylsulfonyl)benzamide
CID 68979051
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 3855637
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130
2,4-dichloro-N-(4-methylsulfanylphenyl)sulfonylbenzamide
CID 11474329
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide (CID 69432024) is 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide is C/C(=C/c1ccccc1)S(=O)(=O)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide?
The InChIKey is RKYYKHAPRUVSBD-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H13Cl2NO3S/c1-11(9-12-5-3-2-4-6-12)23(21,22)19-16(20)14-8-7-13(17)10-15(14)18/h2-10H,1H3,(H,19,20)/b11-9-.
What are the key properties of 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide?
2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide has a molecular weight of 370.26 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide is sourced from PubChem (CID 69432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).