(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

C17H16FN5O3S — CID 31912423

IUPAC(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)n1cncn1
InChIInChI=1S/C17H16FN5O3S/c1-12(23-11-19-10-20-23)17(24)21-13-6-8-14(9-7-13)22-27(25,26)16-5-3-2-4-15(16)18/h2-12,22H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyOXWYXBQOSAFMKW-GFCCVEGCSA-N
MW389.41 g/mol
LogP2.42
Rot. Bonds6

About (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 31912423) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID31912423
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC Name(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)n1cncn1
InChIInChI=1S/C17H16FN5O3S/c1-12(23-11-19-10-20-23)17(24)21-13-6-8-14(9-7-13)22-27(25,26)16-5-3-2-4-15(16)18/h2-12,22H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyOXWYXBQOSAFMKW-GFCCVEGCSA-N
XLogP2.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(phenylsulfamoyl)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 55621765
N-[4-[(2-chloro-2-fluoroacetyl)amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166427685
(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
2-amino-3-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide;dihydrochloride
CID 119848887
3-(methanesulfonamido)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064718
N-[4-fluoro-2-(2-fluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 75520222
2,4-dichloro-5-fluoro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 46439736
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
N-[2-(2,4-difluoroanilino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 86784056

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 31912423) is (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)n1cncn1.
What is the InChIKey of (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OXWYXBQOSAFMKW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c1-12(23-11-19-10-20-23)17(24)21-13-6-8-14(9-7-13)22-27(25,26)16-5-3-2-4-15(16)18/h2-12,22H,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 389.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 31912423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).