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

C22H17NO4S — CID 1073704

IUPACN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C22H17NO4S/c24-20-13-11-16(23-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-12-21(22)25/h1-14,23-25H
InChIKeyUUWGREFGSDPMIN-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.72
Rot. Bonds4

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

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (PubChem CID 1073704) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
PubChem CID1073704
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccccc1
InChIInChI=1S/C22H17NO4S/c24-20-13-11-16(23-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-12-21(22)25/h1-14,23-25H
InChIKeyUUWGREFGSDPMIN-UHFFFAOYSA-N
XLogP4.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.72
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-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25037495
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 5208234
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide
CID 163288574
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
CID 134878745
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 58565507
N-(4-formyl-3-hydroxyphenyl)benzenesulfonamide
CID 819586
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (CID 1073704) is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The InChIKey is UUWGREFGSDPMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c24-20-13-11-16(23-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-12-21(22)25/h1-14,23-25H.
What are the key properties of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1073704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).