2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide

C19H14Cl2N2O2S — CID 3445259

IUPAC2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccc1)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O2S/c20-14-10-12-16(13-11-14)26(24,25)23-19(17-8-4-5-9-18(17)21)22-15-6-2-1-3-7-15/h1-13H,(H,22,23)
InChIKeyWHVHHIVRKFTOEI-UHFFFAOYSA-N
MW405.31 g/mol
LogP5.24
Rot. Bonds4

About 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide

2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide (PubChem CID 3445259) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
PubChem CID3445259
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccccc1)c1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O2S/c20-14-10-12-16(13-11-14)26(24,25)23-19(17-8-4-5-9-18(17)21)22-15-6-2-1-3-7-15/h1-13H,(H,22,23)
InChIKeyWHVHHIVRKFTOEI-UHFFFAOYSA-N
XLogP5.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
1-[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea
CID 2303517
methyl N'-(benzenesulfonyl)-N-(4-chlorophenyl)carbamimidothioate
CID 10712227
N'-(4-chlorophenyl)sulfonyl-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzenecarboximidamide
CID 34071723
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
2-chloro-N-(4-chlorophenyl)-N'-ethenylbenzenecarboximidamide
CID 143123911
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide (CID 3445259) is 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide is O=S(=O)(N=C(Nc1ccccc1)c1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide?
The InChIKey is WHVHHIVRKFTOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c20-14-10-12-16(13-11-14)26(24,25)23-19(17-8-4-5-9-18(17)21)22-15-6-2-1-3-7-15/h1-13H,(H,22,23).
What are the key properties of 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide?
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide has a molecular weight of 405.31 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide is sourced from PubChem (CID 3445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).