N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide

C19H14ClN3O4S — CID 3445258

IUPACN'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccccc1NC(=NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O4S/c20-15-12-10-14(11-13-15)19(21-17-8-4-5-9-18(17)23(24)25)22-28(26,27)16-6-2-1-3-7-16/h1-13H,(H,21,22)
InChIKeyCMTHSFOPPBIIGL-UHFFFAOYSA-N
MW415.86 g/mol
LogP4.50
Rot. Bonds5

About N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide

N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide (PubChem CID 3445258) has the molecular formula C19H14ClN3O4S and a molecular weight of 415.86 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
PubChem CID3445258
Molecular FormulaC19H14ClN3O4S
Molecular Weight415.86 g/mol
Exact Mass415.04
IUPAC NameN'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
SMILESO=[N+]([O-])c1ccccc1NC(=NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O4S/c20-15-12-10-14(11-13-15)19(21-17-8-4-5-9-18(17)23(24)25)22-28(26,27)16-6-2-1-3-7-16/h1-13H,(H,21,22)
InChIKeyCMTHSFOPPBIIGL-UHFFFAOYSA-N
XLogP4.50
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
N-(2,4-dinitrophenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 6536173
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
1-[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-(4-chlorophenyl)thiourea
CID 2303517
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 3445259
N'-(4-chlorophenyl)sulfonyl-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzenecarboximidamide
CID 34071723
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(2-nitrophenyl)benzamide
CID 2909414

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide (CID 3445258) is N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide is O=[N+]([O-])c1ccccc1NC(=NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide?
The InChIKey is CMTHSFOPPBIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4S/c20-15-12-10-14(11-13-15)19(21-17-8-4-5-9-18(17)23(24)25)22-28(26,27)16-6-2-1-3-7-16/h1-13H,(H,21,22).
What are the key properties of N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide?
N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide has a molecular weight of 415.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide is sourced from PubChem (CID 3445258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).