4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

C16H17FN2O4S2 — CID 1077797

IUPAC4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S2/c17-13-3-7-15(8-4-13)24(20,21)18-14-5-9-16(10-6-14)25(22,23)19-11-1-2-12-19/h3-10,18H,1-2,11-12H2
InChIKeyYIFZCBCFBRPFIZ-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.41
Rot. Bonds5

About 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide

4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1077797) has the molecular formula C16H17FN2O4S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1077797
Molecular FormulaC16H17FN2O4S2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O4S2/c17-13-3-7-15(8-4-13)24(20,21)18-14-5-9-16(10-6-14)25(22,23)19-11-1-2-12-19/h3-10,18H,1-2,11-12H2
InChIKeyYIFZCBCFBRPFIZ-UHFFFAOYSA-N
XLogP2.41
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 1077797) is 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is YIFZCBCFBRPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S2/c17-13-3-7-15(8-4-13)24(20,21)18-14-5-9-16(10-6-14)25(22,23)19-11-1-2-12-19/h3-10,18H,1-2,11-12H2.
What are the key properties of 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1077797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).