2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C14H15FN4O3S — CID 72877474

IUPAC2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C14H15FN4O3S/c15-12-3-2-10(23(16,21)22)6-11(12)14(20)18-9-1-4-13-8(5-9)7-17-19-13/h2-3,6-7,9H,1,4-5H2,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyHNRNFIFZEPJLNI-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.48
Rot. Bonds3

About 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 72877474) has the molecular formula C14H15FN4O3S and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID72877474
Molecular FormulaC14H15FN4O3S
Molecular Weight338.36 g/mol
Exact Mass338.08
IUPAC Name2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESNS(=O)(=O)c1ccc(F)c(C(=O)NC2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C14H15FN4O3S/c15-12-3-2-10(23(16,21)22)6-11(12)14(20)18-9-1-4-13-8(5-9)7-17-19-13/h2-3,6-7,9H,1,4-5H2,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyHNRNFIFZEPJLNI-UHFFFAOYSA-N
XLogP0.48
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-4-[2-(1H-pyrazol-4-yl)ethylsulfamoyl]benzamide
CID 70772587
3-{1-[(3-Fluorophenyl)sulfonyl]-3-piperidyl}-N~1~-[(5-methyl-1H-pyrazol-4-YL)methyl]propanamide
CID 91913356
4-fluoro-N-[(2S)-1-oxo-3-phenyl-1-[4-(1H-pyrazol-5-ylmethylsulfamoyl)anilino]propan-2-yl]benzamide
CID 165122049
4-{[3-(1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}benzenesulfonamide
CID 56738390
N-methyl-4-(1-piperazinylsulfonyl)-N-(1H-pyrazol-3-ylmethyl)benzamide hydrochloride
CID 70783979
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1H-pyrazol-4-yl)benzamide
CID 72148947
3-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]-N-(1H-pyrazol-3-ylmethyl)benzenesulfonamide
CID 77090588
3-[(1R*,5S*)-6-azabicyclo[3.2.1]oct-6-ylcarbonyl]-N-(1H-pyrazol-3-ylmethyl)benzenesulfonamide
CID 133130085
N-[2-(1H-pyrazol-5-yl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide;hydrochloride
CID 20085567
N-[2-(1H-pyrazol-5-yl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 20085568
1-N-cyclopropyl-2-fluoro-1-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 90379413
3-acetyl-N-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 141254613

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 72877474) is 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is NS(=O)(=O)c1ccc(F)c(C(=O)NC2CCc3[nH]ncc3C2)c1.
What is the InChIKey of 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is HNRNFIFZEPJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S/c15-12-3-2-10(23(16,21)22)6-11(12)14(20)18-9-1-4-13-8(5-9)7-17-19-13/h2-3,6-7,9H,1,4-5H2,(H,17,19)(H,18,20)(H2,16,21,22).
What are the key properties of 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-sulfamoyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 72877474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).