N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide

C27H20ClN5O4S2 — CID 2355217

IUPACN'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN5O4S2/c28-20-10-14-22(15-11-20)39(36,37)33-27(19-6-2-1-3-7-19)30-21-12-16-23(17-13-21)38(34,35)32-26-18-29-24-8-4-5-9-25(24)31-26/h1-18H,(H,30,33)(H,31,32)
InChIKeyMFEKYMZHRYIDFD-UHFFFAOYSA-N
MW578.08 g/mol
LogP5.33
Rot. Bonds7

About N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide

N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide (PubChem CID 2355217) has the molecular formula C27H20ClN5O4S2 and a molecular weight of 578.08 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
PubChem CID2355217
Molecular FormulaC27H20ClN5O4S2
Molecular Weight578.08 g/mol
Exact Mass577.06
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClN5O4S2/c28-20-10-14-22(15-11-20)39(36,37)33-27(19-6-2-1-3-7-19)30-21-12-16-23(17-13-21)38(34,35)32-26-18-29-24-8-4-5-9-25(24)31-26/h1-18H,(H,30,33)(H,31,32)
InChIKeyMFEKYMZHRYIDFD-UHFFFAOYSA-N
XLogP5.33
TPSA130.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.08
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
5-oxo-5-[4-(quinoxalin-2-ylsulfamoyl)anilino]pentanoic acid
CID 22776249
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
1-ethyl-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea
CID 25039561
3-nitro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 17385385
6-[[4-(quinoxalin-2-ylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2933220
2-(4-chloro-2-methylphenoxy)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]propanamide
CID 3590295
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-(2-methylphenyl)benzenecarboximidamide
CID 2331143

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide (CID 2355217) is N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide is O=S(=O)(N=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide?
The InChIKey is MFEKYMZHRYIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN5O4S2/c28-20-10-14-22(15-11-20)39(36,37)33-27(19-6-2-1-3-7-19)30-21-12-16-23(17-13-21)38(34,35)32-26-18-29-24-8-4-5-9-25(24)31-26/h1-18H,(H,30,33)(H,31,32).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide has a molecular weight of 578.08 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 2355217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).