N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide

C23H18ClNO4S — CID 5208234

IUPACN-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C23H18ClNO4S/c1-29-21-12-11-15-7-5-6-10-18(15)22(21)19-13-16(14-20(24)23(19)26)25-30(27,28)17-8-3-2-4-9-17/h2-14,25-26H,1H3
InChIKeyKTUJWGKXLAXTHH-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.68
Rot. Bonds5

About N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide

N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide (PubChem CID 5208234) has the molecular formula C23H18ClNO4S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
PubChem CID5208234
Molecular FormulaC23H18ClNO4S
Molecular Weight439.92 g/mol
Exact Mass439.06
IUPAC NameN-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C23H18ClNO4S/c1-29-21-12-11-15-7-5-6-10-18(15)22(21)19-13-16(14-20(24)23(19)26)25-30(27,28)17-8-3-2-4-9-17/h2-14,25-26H,1H3
InChIKeyKTUJWGKXLAXTHH-UHFFFAOYSA-N
XLogP5.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
CID 5208228
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide
CID 58565581
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide (CID 5208234) is N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide is COc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O.
What is the InChIKey of N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KTUJWGKXLAXTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4S/c1-29-21-12-11-15-7-5-6-10-18(15)22(21)19-13-16(14-20(24)23(19)26)25-30(27,28)17-8-3-2-4-9-17/h2-14,25-26H,1H3.
What are the key properties of N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide?
N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5208234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).