4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide

C22H18N2O4S2 — CID 1329834

IUPAC4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O4S2/c25-29(26,19-9-2-1-3-10-19)23-18-13-15-20(16-14-18)30(27,28)24-22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23-24H
InChIKeyWWSQWBKCQXXPSX-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.44
Rot. Bonds6

About 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide

4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 1329834) has the molecular formula C22H18N2O4S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID1329834
Molecular FormulaC22H18N2O4S2
Molecular Weight438.53 g/mol
Exact Mass438.07
IUPAC Name4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C22H18N2O4S2/c25-29(26,19-9-2-1-3-10-19)23-18-13-15-20(16-14-18)30(27,28)24-22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23-24H
InChIKeyWWSQWBKCQXXPSX-UHFFFAOYSA-N
XLogP4.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide (CID 1329834) is 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is WWSQWBKCQXXPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S2/c25-29(26,19-9-2-1-3-10-19)23-18-13-15-20(16-14-18)30(27,28)24-22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23-24H.
What are the key properties of 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide?
4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 1329834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).