N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide

C21H19FN2O4S2 — CID 78869056

IUPACN-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S2/c22-15-7-5-14(6-8-15)18-3-1-11-24(18)21(26)17-10-9-16(13-19(17)25)23-30(27,28)20-4-2-12-29-20/h2,4-10,12-13,18,23,25H,1,3,11H2
InChIKeyKCSMWRMHSYTARH-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.37
Rot. Bonds5

About N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide

N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide (PubChem CID 78869056) has the molecular formula C21H19FN2O4S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
PubChem CID78869056
Molecular FormulaC21H19FN2O4S2
Molecular Weight446.53 g/mol
Exact Mass446.08
IUPAC NameN-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O4S2/c22-15-7-5-14(6-8-15)18-3-1-11-24(18)21(26)17-10-9-16(13-19(17)25)23-30(27,28)20-4-2-12-29-20/h2,4-10,12-13,18,23,25H,1,3,11H2
InChIKeyKCSMWRMHSYTARH-UHFFFAOYSA-N
XLogP4.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 41305756
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78869372
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 70744880
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide (CID 78869056) is N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide?
The InChIKey is KCSMWRMHSYTARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S2/c22-15-7-5-14(6-8-15)18-3-1-11-24(18)21(26)17-10-9-16(13-19(17)25)23-30(27,28)20-4-2-12-29-20/h2,4-10,12-13,18,23,25H,1,3,11H2.
What are the key properties of N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide?
N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide has a molecular weight of 446.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 78869056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).