5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide

C26H18ClNO4S2 — CID 25073246

IUPAC5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(Cl)s1
InChIInChI=1S/C26H18ClNO4S2/c27-24-11-12-25(33-24)34(31,32)28-20-5-1-4-19(14-20)26-22-9-7-17(13-18(22)8-10-23(26)30)16-3-2-6-21(29)15-16/h1-15,28-30H
InChIKeyLACISTKDMXQENJ-UHFFFAOYSA-N
MW508.02 g/mol
LogP7.10
Rot. Bonds5

About 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 25073246) has the molecular formula C26H18ClNO4S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
PubChem CID25073246
Molecular FormulaC26H18ClNO4S2
Molecular Weight508.02 g/mol
Exact Mass507.04
IUPAC Name5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(Cl)s1
InChIInChI=1S/C26H18ClNO4S2/c27-24-11-12-25(33-24)34(31,32)28-20-5-1-4-19(14-20)26-22-9-7-17(13-18(22)8-10-23(26)30)16-3-2-6-21(29)15-16/h1-15,28-30H
InChIKeyLACISTKDMXQENJ-UHFFFAOYSA-N
XLogP7.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.02
LogP ≤ 57.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57384262
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
CID 25069442
5-chloro-N-[3-(1H-imidazol-2-yl)phenyl]thiophene-2-sulfonamide
CID 110726466
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 24970356
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 25072940
5-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 22576140
5-chloro-N-(3-pyrrolidin-1-ylphenyl)thiophene-2-sulfonamide
CID 110361652
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol;4-oxobutanoic acid
CID 145481415
5-chloro-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64786901
(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide
CID 24949869
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
5-chloro-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]thiophene-2-sulfonamide
CID 7483034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide (CID 25073246) is 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is LACISTKDMXQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO4S2/c27-24-11-12-25(33-24)34(31,32)28-20-5-1-4-19(14-20)26-22-9-7-17(13-18(22)8-10-23(26)30)16-3-2-6-21(29)15-16/h1-15,28-30H.
What are the key properties of 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 508.02 g/mol, XLogP of 7.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25073246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).