4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

C20H23FN4O2S — CID 4910302

IUPAC4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H23FN4O2S/c1-24-19-9-6-16(23-28(26,27)17-7-4-15(21)5-8-17)14-18(19)22-20(24)10-13-25-11-2-3-12-25/h4-9,14,23H,2-3,10-13H2,1H3
InChIKeyJEFVHBBKZPISTA-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.15
Rot. Bonds6

About 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 4910302) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID4910302
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H23FN4O2S/c1-24-19-9-6-16(23-28(26,27)17-7-4-15(21)5-8-17)14-18(19)22-20(24)10-13-25-11-2-3-12-25/h4-9,14,23H,2-3,10-13H2,1H3
InChIKeyJEFVHBBKZPISTA-UHFFFAOYSA-N
XLogP3.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 804705
CID 804705
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CID 24949704
CID 24949704
CID 446805
CID 446805
CID 57441073
CID 57441073
CID 126720397
CID 126720397
CID 3160828
CID 3160828
CID 101913340
CID 101913340
CID 893311
CID 893311
CID 894122
CID 894122

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (CID 4910302) is 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JEFVHBBKZPISTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-24-19-9-6-16(23-28(26,27)17-7-4-15(21)5-8-17)14-18(19)22-20(24)10-13-25-11-2-3-12-25/h4-9,14,23H,2-3,10-13H2,1H3.
What are the key properties of 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 402.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4910302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).