N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

C14H19FN4O3S — CID 167854843

IUPACN-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1cc(C(C)(C)F)on1)CCCC2
InChIInChI=1S/C14H19FN4O3S/c1-14(2,15)11-8-12(17-22-11)18-23(20,21)13-9-6-4-5-7-10(9)16-19(13)3/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyFIMXBDCUMGHZMC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.29
Rot. Bonds4

About N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide

N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (PubChem CID 167854843) has the molecular formula C14H19FN4O3S and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
PubChem CID167854843
Molecular FormulaC14H19FN4O3S
Molecular Weight342.40 g/mol
Exact Mass342.12
IUPAC NameN-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
SMILESCn1nc2c(c1S(=O)(=O)Nc1cc(C(C)(C)F)on1)CCCC2
InChIInChI=1S/C14H19FN4O3S/c1-14(2,15)11-8-12(17-22-11)18-23(20,21)13-9-6-4-5-7-10(9)16-19(13)3/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyFIMXBDCUMGHZMC-UHFFFAOYSA-N
XLogP2.29
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-2-pyridinyl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 136569966
2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018134
N-(2-acetyl-1,3-dihydroisoindol-5-yl)-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-sulfonamide
CID 167841593
N-(4-chloro-8-fluoroquinolin-3-yl)-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 154766941
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 138018471
1,4-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)pyrazole-5-sulfonamide
CID 136569982
2-tert-butyl-4,5,6,7-tetrahydroindazole-3-sulfonyl fluoride
CID 165452858
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide
CID 136588374
(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl) trifluoromethanesulfonate
CID 146491588
ethyl 4-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)sulfonylamino]but-2-ynoate
CID 136571184
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 100634685
4-(difluoromethyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-3-sulfonamide
CID 136569911

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The IUPAC name of N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide (CID 167854843) is N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide.
What is the SMILES notation for N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The canonical SMILES for N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is Cn1nc2c(c1S(=O)(=O)Nc1cc(C(C)(C)F)on1)CCCC2.
What is the InChIKey of N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
The InChIKey is FIMXBDCUMGHZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O3S/c1-14(2,15)11-8-12(17-22-11)18-23(20,21)13-9-6-4-5-7-10(9)16-19(13)3/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide?
N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide has a molecular weight of 342.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-2-methyl-4,5,6,7-tetrahydroindazole-3-sulfonamide is sourced from PubChem (CID 167854843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).