2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

C15H19FN4O3S — CID 56754317

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)c2cnn(C)c2)ccc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-6-13(4-5-14(10)16)24(22,23)18-8-15(21)19-11(2)12-7-17-20(3)9-12/h4-7,9,11,18H,8H2,1-3H3,(H,19,21)
InChIKeyICPBBTYTIOSXLP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.02
Rot. Bonds6

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 56754317) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID56754317
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)c2cnn(C)c2)ccc1F
InChIInChI=1S/C15H19FN4O3S/c1-10-6-13(4-5-14(10)16)24(22,23)18-8-15(21)19-11(2)12-7-17-20(3)9-12/h4-7,9,11,18H,8H2,1-3H3,(H,19,21)
InChIKeyICPBBTYTIOSXLP-UHFFFAOYSA-N
XLogP1.02
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 56754317) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is Cc1cc(S(=O)(=O)NCC(=O)NC(C)c2cnn(C)c2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is ICPBBTYTIOSXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-10-6-13(4-5-14(10)16)24(22,23)18-8-15(21)19-11(2)12-7-17-20(3)9-12/h4-7,9,11,18H,8H2,1-3H3,(H,19,21).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 56754317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).