N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C17H20N2O5S2 — CID 2696908

IUPACN-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-15-6-4-14(5-7-15)18-25(20,21)16-8-10-17(11-9-16)26(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3
InChIKeySUETYZFUQIDDPD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.28
Rot. Bonds6

About N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 2696908) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID2696908
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C17H20N2O5S2/c1-24-15-6-4-14(5-7-15)18-25(20,21)16-8-10-17(11-9-16)26(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3
InChIKeySUETYZFUQIDDPD-UHFFFAOYSA-N
XLogP2.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 2696908) is N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is SUETYZFUQIDDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-24-15-6-4-14(5-7-15)18-25(20,21)16-8-10-17(11-9-16)26(22,23)19-12-2-3-13-19/h4-11,18H,2-3,12-13H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 396.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 2696908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).