4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide

C22H16Cl2N2O2S — CID 3837966

IUPAC4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide
SMILESO=C(/N=S(\C=Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2S/c23-19-10-6-17(7-11-19)21(27)25-29(15-14-16-4-2-1-3-5-16)26-22(28)18-8-12-20(24)13-9-18/h1-15H,(H,25,26,27,28)
InChIKeyGLPLIGNACKYUKD-UHFFFAOYSA-N
MW443.36 g/mol
LogP5.95
Rot. Bonds5

About 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide

4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide (PubChem CID 3837966) has the molecular formula C22H16Cl2N2O2S and a molecular weight of 443.36 g/mol. Its IUPAC name is 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide
PubChem CID3837966
Molecular FormulaC22H16Cl2N2O2S
Molecular Weight443.36 g/mol
Exact Mass442.03
IUPAC Name4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide
SMILESO=C(/N=S(\C=Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2S/c23-19-10-6-17(7-11-19)21(27)25-29(15-14-16-4-2-1-3-5-16)26-22(28)18-8-12-20(24)13-9-18/h1-15H,(H,25,26,27,28)
InChIKeyGLPLIGNACKYUKD-UHFFFAOYSA-N
XLogP5.95
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.36
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[N-benzoyl-S-[(E)-prop-1-enyl]sulfinimidoyl]benzamide
CID 13258644
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
CID 71769328
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
4-chloro-N-[(E)-[(E)-1,5-diphenylpent-1-en-4-yn-3-ylidene]amino]benzamide
CID 6304716
(E)-1-(4-chlorophenyl)-5-phenylpent-4-en-1-one
CID 11346279
1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 11176351
2-[(4-chlorobenzoyl)amino]-4-(2-phenylethenyl)benzoic acid
CID 174534912
2-(4-chlorophenyl)-N-phenylethenesulfinamide
CID 3716001
4-chloro-N-hydroxybenzamide
CID 587178
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide?
The IUPAC name of 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide (CID 3837966) is 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide?
The canonical SMILES for 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide is O=C(/N=S(\C=Cc1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide?
The InChIKey is GLPLIGNACKYUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2S/c23-19-10-6-17(7-11-19)21(27)25-29(15-14-16-4-2-1-3-5-16)26-22(28)18-8-12-20(24)13-9-18/h1-15H,(H,25,26,27,28).
What are the key properties of 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide?
4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide has a molecular weight of 443.36 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[N-(4-chlorobenzoyl)-S-(2-phenylethenyl)sulfinimidoyl]benzamide is sourced from PubChem (CID 3837966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).