N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide

C20H16ClN3O3S2 — CID 6736304

IUPACN-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O3S2/c21-16-7-9-17(10-8-16)28-19-4-2-1-3-15(19)13-23-24-20(25)14-5-11-18(12-6-14)29(22,26)27/h1-13H,(H,24,25)(H2,22,26,27)
InChIKeyHAGHAXBKEPHNKC-UHFFFAOYSA-N
MW445.95 g/mol
LogP3.90
Rot. Bonds6

About N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide

N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide (PubChem CID 6736304) has the molecular formula C20H16ClN3O3S2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide
PubChem CID6736304
Molecular FormulaC20H16ClN3O3S2
Molecular Weight445.95 g/mol
Exact Mass445.03
IUPAC NameN-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3O3S2/c21-16-7-9-17(10-8-16)28-19-4-2-1-3-15(19)13-23-24-20(25)14-5-11-18(12-6-14)29(22,26)27/h1-13H,(H,24,25)(H2,22,26,27)
InChIKeyHAGHAXBKEPHNKC-UHFFFAOYSA-N
XLogP3.90
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
CID 6736191
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
N-[(Z)-(2-bromophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 94837906
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
N-(benzylideneamino)-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4132126
N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-nitrobenzamide
CID 39367831
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide (CID 6736304) is N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is HAGHAXBKEPHNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S2/c21-16-7-9-17(10-8-16)28-19-4-2-1-3-15(19)13-23-24-20(25)14-5-11-18(12-6-14)29(22,26)27/h1-13H,(H,24,25)(H2,22,26,27).
What are the key properties of N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide?
N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 445.95 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 6736304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).