2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

C14H18FN5O3S — CID 91842029

IUPAC2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)Cn2cncn2)ccc1F
InChIInChI=1S/C14H18FN5O3S/c1-10-5-12(3-4-13(10)15)24(22,23)18-6-14(21)19-11(2)7-20-9-16-8-17-20/h3-5,8-9,11,18H,6-7H2,1-2H3,(H,19,21)
InChIKeyOTCCYURWKZKLTH-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.21
Rot. Bonds7

About 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (PubChem CID 91842029) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
PubChem CID91842029
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC Name2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(S(=O)(=O)NCC(=O)NC(C)Cn2cncn2)ccc1F
InChIInChI=1S/C14H18FN5O3S/c1-10-5-12(3-4-13(10)15)24(22,23)18-6-14(21)19-11(2)7-20-9-16-8-17-20/h3-5,8-9,11,18H,6-7H2,1-2H3,(H,19,21)
InChIKeyOTCCYURWKZKLTH-UHFFFAOYSA-N
XLogP0.21
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113002239
N-(3,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001384
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112991969
N-(2,5-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 113001324
N-(4-tert-butylphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112997610
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 60518186
2-chloro-4,5-difluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91781642
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96524279
2-(3,5-dichlorophenoxy)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 71995156
1-(4-chlorophenyl)sulfonyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]piperidine-4-carboxamide
CID 60518157
4-fluoro-3-methyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 112995681

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide (CID 91842029) is 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is Cc1cc(S(=O)(=O)NCC(=O)NC(C)Cn2cncn2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
The InChIKey is OTCCYURWKZKLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-10-5-12(3-4-13(10)15)24(22,23)18-6-14(21)19-11(2)7-20-9-16-8-17-20/h3-5,8-9,11,18H,6-7H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide?
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 91842029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).