4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide

C17H18FN3O2S2 — CID 155801258

IUPAC4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C17H18FN3O2S2/c1-12-9-14(18)3-6-17(12)25(22,23)20-8-7-15-4-5-16(24-15)13-10-19-21(2)11-13/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyNUTMYXNKHDWYIR-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.12
Rot. Bonds6

About 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide

4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide (PubChem CID 155801258) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide
PubChem CID155801258
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC Name4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1
InChIInChI=1S/C17H18FN3O2S2/c1-12-9-14(18)3-6-17(12)25(22,23)20-8-7-15-4-5-16(24-15)13-10-19-21(2)11-13/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyNUTMYXNKHDWYIR-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide (CID 155801258) is 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCc1ccc(-c2cnn(C)c2)s1.
What is the InChIKey of 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
The InChIKey is NUTMYXNKHDWYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-12-9-14(18)3-6-17(12)25(22,23)20-8-7-15-4-5-16(24-15)13-10-19-21(2)11-13/h3-6,9-11,20H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 155801258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).