N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide

C22H16Cl2N2O3S — CID 44579199

IUPACN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H16Cl2N2O3S/c23-14-6-8-18(24)21(11-14)30(28,29)26-15-7-9-19(25)17(12-15)22-16-4-2-1-3-13(16)5-10-20(22)27/h1-12,26-27H,25H2
InChIKeyFEDJAYSNJABAMC-UHFFFAOYSA-N
MW459.35 g/mol
LogP5.90
Rot. Bonds4

About N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide

N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 44579199) has the molecular formula C22H16Cl2N2O3S and a molecular weight of 459.35 g/mol. Its IUPAC name is N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide
PubChem CID44579199
Molecular FormulaC22H16Cl2N2O3S
Molecular Weight459.35 g/mol
Exact Mass458.03
IUPAC NameN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H16Cl2N2O3S/c23-14-6-8-18(24)21(11-14)30(28,29)26-15-7-9-19(25)17(12-15)22-16-4-2-1-3-13(16)5-10-20(22)27/h1-12,26-27H,25H2
InChIKeyFEDJAYSNJABAMC-UHFFFAOYSA-N
XLogP5.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-Dichloro-N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1367558
N-[4-hydroxy-3-(2-hydroxy-1-naphthyl)phenyl]benzenesulfonamide
CID 1073704
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzene-1-sulfonamide
CID 2056054
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
N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 44579600
4-chloro-N-(4-hydroxy-1-naphthyl)benzenesulfonamide
CID 726551
N-[4-amino-3-(2-ethoxy-1-naphthalenyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 16072270
3-chloro-4-fluoro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565385
N-[4-amino-3-[6-hydroxy-3-methyl-2-[(Z)-prop-1-enyl]phenyl]naphthalen-1-yl]-3-(1,1-difluoroethyl)benzenesulfonamide
CID 144778930
N-[4-amino-3-(2-hydroxy-5,6-dihydronaphthalen-1-yl)naphthalen-1-yl]-3-fluorobenzenesulfonamide
CID 144779062
4-chloro-N-(1',2-dihydroxy-1,2'-binaphthalen-4'-yl)benzenesulfonamide
CID 2269846

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide (CID 44579199) is N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12.
What is the InChIKey of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is FEDJAYSNJABAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3S/c23-14-6-8-18(24)21(11-14)30(28,29)26-15-7-9-19(25)17(12-15)22-16-4-2-1-3-13(16)5-10-20(22)27/h1-12,26-27H,25H2.
What are the key properties of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide?
N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 459.35 g/mol, XLogP of 5.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 44579199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).