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

C22H18N2O3S — CID 44579600

IUPACN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H18N2O3S/c23-20-12-11-16(24-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-13-21(22)25/h1-14,24-25H,23H2
InChIKeyNDHUHYIQZFJDLL-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.60
Rot. Bonds4

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

N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (PubChem CID 44579600) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
PubChem CID44579600
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12
InChIInChI=1S/C22H18N2O3S/c23-20-12-11-16(24-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-13-21(22)25/h1-14,24-25H,23H2
InChIKeyNDHUHYIQZFJDLL-UHFFFAOYSA-N
XLogP4.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide (CID 44579600) is N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12.
What is the InChIKey of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
The InChIKey is NDHUHYIQZFJDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c23-20-12-11-16(24-28(26,27)17-7-2-1-3-8-17)14-19(20)22-18-9-5-4-6-15(18)10-13-21(22)25/h1-14,24-25H,23H2.
What are the key properties of N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide?
N-[4-amino-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 4.60, 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]benzenesulfonamide is sourced from PubChem (CID 44579600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).