N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide

C14H12FNO4S2 — CID 174855941

IUPACN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1)C1(O)CC1
InChIInChI=1S/C14H12FNO4S2/c15-9-1-3-10(4-2-9)22(19,20)12-6-5-11(21-12)16-13(17)14(18)7-8-14/h1-6,18H,7-8H2,(H,16,17)
InChIKeyUYPZIAJJPGVSAR-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.18
Rot. Bonds4

About N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide

N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 174855941) has the molecular formula C14H12FNO4S2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID174855941
Molecular FormulaC14H12FNO4S2
Molecular Weight341.39 g/mol
Exact Mass341.02
IUPAC NameN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1)C1(O)CC1
InChIInChI=1S/C14H12FNO4S2/c15-9-1-3-10(4-2-9)22(19,20)12-6-5-11(21-12)16-13(17)14(18)7-8-14/h1-6,18H,7-8H2,(H,16,17)
InChIKeyUYPZIAJJPGVSAR-UHFFFAOYSA-N
XLogP2.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide
CID 174855557
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
5-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 53124627
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
1-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 69141203
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
N-(5-methylsulfonylthiophen-2-yl)acetamide
CID 21340923
1-(4-fluorophenyl)sulfonylcyclopentane-1-carboxylic acid
CID 43519379
1-(4-fluorophenyl)sulfonylcyclohexane-1-carboxylic acid
CID 43519383
N-(4-fluoro-2-methylphenyl)-1-hydroxycyclobutane-1-carboxamide
CID 126766616
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 46379847
1-(4-fluorophenyl)sulfonyl-4-[1,2,2,3,3,4-hexafluoro-4-[4-(4-fluorophenyl)sulfonylphenoxy]cyclobutyl]oxybenzene
CID 164800259

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide (CID 174855941) is N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1)C1(O)CC1.
What is the InChIKey of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is UYPZIAJJPGVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S2/c15-9-1-3-10(4-2-9)22(19,20)12-6-5-11(21-12)16-13(17)14(18)7-8-14/h1-6,18H,7-8H2,(H,16,17).
What are the key properties of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 174855941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).