4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide

C17H13ClN2O3S — CID 136697043

IUPAC4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc2ccccc2c1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(22,23)20-19-11-13-6-5-12-3-1-2-4-16(12)17(13)21/h1-11,20-21H/b19-11-
InChIKeyCESJWIDORBGBBK-ODLFYWEKSA-N
MW360.82 g/mol
LogP3.51
Rot. Bonds4

About 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 136697043) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID136697043
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccc2ccccc2c1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(22,23)20-19-11-13-6-5-12-3-1-2-4-16(12)17(13)21/h1-11,20-21H/b19-11-
InChIKeyCESJWIDORBGBBK-ODLFYWEKSA-N
XLogP3.51
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide
CID 135647860
3-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]-N,2-dihydroxybenzeneamine oxide
CID 135800995
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 135675629
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 73346537

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide (CID 136697043) is 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1ccc2ccccc2c1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is CESJWIDORBGBBK-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c18-14-7-9-15(10-8-14)24(22,23)20-19-11-13-6-5-12-3-1-2-4-16(12)17(13)21/h1-11,20-21H/b19-11-.
What are the key properties of 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 360.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 136697043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).