2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide

C14H18FN5O3S — CID 72883314

IUPAC2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nncn1C(C)C
InChIInChI=1S/C14H18FN5O3S/c1-8(2)20-7-17-19-13(20)9(3)18-14(21)11-6-10(24(16,22)23)4-5-12(11)15/h4-9H,1-3H3,(H,18,21)(H2,16,22,23)
InChIKeySDIMCNIKSNVYLF-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.14
Rot. Bonds5

About 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide

2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 72883314) has the molecular formula C14H18FN5O3S and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID72883314
Molecular FormulaC14H18FN5O3S
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC Name2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nncn1C(C)C
InChIInChI=1S/C14H18FN5O3S/c1-8(2)20-7-17-19-13(20)9(3)18-14(21)11-6-10(24(16,22)23)4-5-12(11)15/h4-9H,1-3H3,(H,18,21)(H2,16,22,23)
InChIKeySDIMCNIKSNVYLF-UHFFFAOYSA-N
XLogP1.14
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
2-fluoro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 55083285
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 97141168
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
2-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfamoylbenzamide
CID 97206953
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 97138029
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
2,3-difluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62659999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide (CID 72883314) is 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide is CC(NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1nncn1C(C)C.
What is the InChIKey of 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is SDIMCNIKSNVYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O3S/c1-8(2)20-7-17-19-13(20)9(3)18-14(21)11-6-10(24(16,22)23)4-5-12(11)15/h4-9H,1-3H3,(H,18,21)(H2,16,22,23).
What are the key properties of 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide?
2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 355.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 72883314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).