N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide

C19H18N2O5S2 — CID 3473831

IUPACN-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S2/c1-26-19-14-15(20-27(22,23)16-8-4-2-5-9-16)12-13-18(19)21-28(24,25)17-10-6-3-7-11-17/h2-14,20-21H,1H3
InChIKeyLDXPLZVLJKZLHB-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide

N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide (PubChem CID 3473831) has the molecular formula C19H18N2O5S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide
PubChem CID3473831
Molecular FormulaC19H18N2O5S2
Molecular Weight418.50 g/mol
Exact Mass418.07
IUPAC NameN-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H18N2O5S2/c1-26-19-14-15(20-27(22,23)16-8-4-2-5-9-16)12-13-18(19)21-28(24,25)17-10-6-3-7-11-17/h2-14,20-21H,1H3
InChIKeyLDXPLZVLJKZLHB-UHFFFAOYSA-N
XLogP3.30
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide?
The IUPAC name of N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide (CID 3473831) is N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide?
The InChIKey is LDXPLZVLJKZLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S2/c1-26-19-14-15(20-27(22,23)16-8-4-2-5-9-16)12-13-18(19)21-28(24,25)17-10-6-3-7-11-17/h2-14,20-21H,1H3.
What are the key properties of N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide?
N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide has a molecular weight of 418.50 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-3-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 3473831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).