4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide

C17H13ClN2O2S — CID 5414863

IUPAC4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-16-7-9-17(10-8-16)23(21,22)20-19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,20H/b19-12-
InChIKeyHRQHHVNXDFUAPB-UNOMPAQXSA-N
MW344.82 g/mol
LogP3.81
Rot. Bonds4

About 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide (PubChem CID 5414863) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
PubChem CID5414863
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-16-7-9-17(10-8-16)23(21,22)20-19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,20H/b19-12-
InChIKeyHRQHHVNXDFUAPB-UNOMPAQXSA-N
XLogP3.81
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
N-(1,3-benzodioxol-5-ylmethylideneamino)-4-chlorobenzenesulfonamide
CID 696656
4-chloro-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 136697043
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
4-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 5431289
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
[4-[[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 4232501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide (CID 5414863) is 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide?
The InChIKey is HRQHHVNXDFUAPB-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-16-7-9-17(10-8-16)23(21,22)20-19-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,20H/b19-12-.
What are the key properties of 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5414863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).