2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide

C22H15Cl2NO4S — CID 1367558

IUPAC2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
InChIKeyKDKVLAFZMJRTEA-UHFFFAOYSA-N
MW460.34 g/mol
LogP6.03
Rot. Bonds4

About 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide

2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (PubChem CID 1367558) has the molecular formula C22H15Cl2NO4S and a molecular weight of 460.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
PubChem CID1367558
Molecular FormulaC22H15Cl2NO4S
Molecular Weight460.34 g/mol
Exact Mass459.01
IUPAC Name2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
InChIKeyKDKVLAFZMJRTEA-UHFFFAOYSA-N
XLogP6.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 56.03
H-Bond Donors ≤ 53
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-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073705
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57388026
4-ethyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 1073702
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 2056054
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 1308751
4-tert-butyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 2269635
2-cyano-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 44579144
N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 44579199
N-(1',2-dihydroxy-1,2'-binaphthalen-4'-yl)-4-fluorobenzenesulfonamide
CID 2269814
N-[4-amino-3-(2-hydroxyphenyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 16072254
2,5-dichloro-N-[4-hydroxy-3-(2-hydroxyphenyl)phenyl]benzenesulfonamide
CID 16072262

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (CID 1367558) is 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KDKVLAFZMJRTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H.
What are the key properties of 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide has a molecular weight of 460.34 g/mol, XLogP of 6.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1367558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).