N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide

C15H14F3N3O4S2 — CID 131902156

IUPACN-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)13-8-11(19-20-13)12-3-4-14(25-12)27(23,24)21(5-6-22)9-10-2-1-7-26-10/h1-4,7-8,22H,5-6,9H2,(H,19,20)
InChIKeyLHTKIDKZPKSDSO-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.93
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide

N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide (PubChem CID 131902156) has the molecular formula C15H14F3N3O4S2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
PubChem CID131902156
Molecular FormulaC15H14F3N3O4S2
Molecular Weight421.42 g/mol
Exact Mass421.04
IUPAC NameN-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
SMILESO=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H14F3N3O4S2/c16-15(17,18)13-8-11(19-20-13)12-3-4-14(25-12)27(23,24)21(5-6-22)9-10-2-1-7-26-10/h1-4,7-8,22H,5-6,9H2,(H,19,20)
InChIKeyLHTKIDKZPKSDSO-UHFFFAOYSA-N
XLogP2.93
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396434
1-({5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-furyl}sulfonyl)pyrrolidin-3-ol
CID 132417591
3-{5-[(2-isopropyl-2,5-dihydro-1H-pyrrol-1-yl)sulfonyl]-2-furyl}-5-(trifluoromethyl)-1H-pyrazole
CID 132425464
(3S)-3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine
CID 164631094
(3S)-1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-yl]sulfonylpyrrolidin-3-ol
CID 164639894
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
CID 164641023
N-[(Furan-2-YL)methyl]-5-[3-(trifluoromethyl)-1H-pyrazol-5-YL]thiophene-2-sulfonamide
CID 53083731
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
CID 129621629
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide
CID 129621635
rac-(3R,4R)-4-fluoro-1-{[2-methyl-5-(1H-pyrazol-5-yl)-3-furyl]sulfonyl}pyrrolidin-3-ol
CID 131896849
rac-(2R,6S)-2,6-dimethyl-4-({5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-furyl}sulfonyl)morpholine
CID 131899699
3-methoxy-1-({2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3-furyl}sulfonyl)piperidine
CID 131916235

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide (CID 131902156) is N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide is O=S(=O)(c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1)N(CCO)Cc1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
The InChIKey is LHTKIDKZPKSDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S2/c16-15(17,18)13-8-11(19-20-13)12-3-4-14(25-12)27(23,24)21(5-6-22)9-10-2-1-7-26-10/h1-4,7-8,22H,5-6,9H2,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide?
N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide has a molecular weight of 421.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-2-sulfonamide is sourced from PubChem (CID 131902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).