N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide

C22H15Cl2NO4S — CID 5208228

IUPACN-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(-c2cc(Cl)c3ccccc3c2O)c1)c1ccccc1
InChIInChI=1S/C22H15Cl2NO4S/c23-19-12-18(21(26)16-9-5-4-8-15(16)19)17-10-13(11-20(24)22(17)27)25-30(28,29)14-6-2-1-3-7-14/h1-12,25-27H
InChIKeyWCFVGCGVCZFHGV-UHFFFAOYSA-N
MW460.34 g/mol
LogP6.03
Rot. Bonds4

About N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide

N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide (PubChem CID 5208228) has the molecular formula C22H15Cl2NO4S and a molecular weight of 460.34 g/mol. Its IUPAC name is N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
PubChem CID5208228
Molecular FormulaC22H15Cl2NO4S
Molecular Weight460.34 g/mol
Exact Mass459.01
IUPAC NameN-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(-c2cc(Cl)c3ccccc3c2O)c1)c1ccccc1
InChIInChI=1S/C22H15Cl2NO4S/c23-19-12-18(21(26)16-9-5-4-8-15(16)19)17-10-13(11-20(24)22(17)27)25-30(28,29)14-6-2-1-3-7-14/h1-12,25-27H
InChIKeyWCFVGCGVCZFHGV-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-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 5208234
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
2,3,5-trichloro-6-hydroxy-N-phenylbenzenesulfonamide
CID 23275594
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 58565728
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 30390651

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide?
The IUPAC name of N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide (CID 5208228) is N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(-c2cc(Cl)c3ccccc3c2O)c1)c1ccccc1.
What is the InChIKey of N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide?
The InChIKey is WCFVGCGVCZFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO4S/c23-19-12-18(21(26)16-9-5-4-8-15(16)19)17-10-13(11-20(24)22(17)27)25-30(28,29)14-6-2-1-3-7-14/h1-12,25-27H.
What are the key properties of N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide?
N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]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 N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide is sourced from PubChem (CID 5208228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).