4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

C22H16Cl2N2O4S2 — CID 1103353

IUPAC4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O4S2/c23-15-5-9-17(10-6-15)31(27,28)25-21-13-14-22(20-4-2-1-3-19(20)21)26-32(29,30)18-11-7-16(24)8-12-18/h1-14,25-26H
InChIKeyXNUCDMDHVWJDIP-UHFFFAOYSA-N
MW507.42 g/mol
LogP5.75
Rot. Bonds6

About 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide

4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (PubChem CID 1103353) has the molecular formula C22H16Cl2N2O4S2 and a molecular weight of 507.42 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
PubChem CID1103353
Molecular FormulaC22H16Cl2N2O4S2
Molecular Weight507.42 g/mol
Exact Mass505.99
IUPAC Name4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O4S2/c23-15-5-9-17(10-6-15)31(27,28)25-21-13-14-22(20-4-2-1-3-19(20)21)26-32(29,30)18-11-7-16(24)8-12-18/h1-14,25-26H
InChIKeyXNUCDMDHVWJDIP-UHFFFAOYSA-N
XLogP5.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide (CID 1103353) is 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
The InChIKey is XNUCDMDHVWJDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O4S2/c23-15-5-9-17(10-6-15)31(27,28)25-21-13-14-22(20-4-2-1-3-19(20)21)26-32(29,30)18-11-7-16(24)8-12-18/h1-14,25-26H.
What are the key properties of 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide?
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide has a molecular weight of 507.42 g/mol, XLogP of 5.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 1103353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).