3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide

C16H14F2N4O3S — CID 134037444

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H14F2N4O3S/c17-13-3-2-12(8-14(13)18)26(24,25)20-6-5-16(23)21-11-1-4-15-10(7-11)9-19-22-15/h1-4,7-9,20H,5-6H2,(H,19,22)(H,21,23)
InChIKeyKFKHXYLJQRRYDM-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.15
Rot. Bonds6

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide (PubChem CID 134037444) has the molecular formula C16H14F2N4O3S and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide
PubChem CID134037444
Molecular FormulaC16H14F2N4O3S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C16H14F2N4O3S/c17-13-3-2-12(8-14(13)18)26(24,25)20-6-5-16(23)21-11-1-4-15-10(7-11)9-19-22-15/h1-4,7-9,20H,5-6H2,(H,19,22)(H,21,23)
InChIKeyKFKHXYLJQRRYDM-UHFFFAOYSA-N
XLogP2.15
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
CID 55376371
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide (CID 134037444) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide?
The InChIKey is KFKHXYLJQRRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O3S/c17-13-3-2-12(8-14(13)18)26(24,25)20-6-5-16(23)21-11-1-4-15-10(7-11)9-19-22-15/h1-4,7-9,20H,5-6H2,(H,19,22)(H,21,23).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide has a molecular weight of 380.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 134037444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).