N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide

C14H15F3N4O2S — CID 97346822

IUPACN-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1cccnc1
InChIInChI=1S/C14H15F3N4O2S/c15-14(16,17)9-21-8-10-3-1-5-12(13(10)19-21)20-24(22,23)11-4-2-6-18-7-11/h2,4,6-8,12,20H,1,3,5,9H2/t12-/m0/s1
InChIKeyCQUYQWWTGPIWQH-LBPRGKRZSA-N
MW360.36 g/mol
LogP2.20
Rot. Bonds4

About N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide

N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide (PubChem CID 97346822) has the molecular formula C14H15F3N4O2S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
PubChem CID97346822
Molecular FormulaC14H15F3N4O2S
Molecular Weight360.36 g/mol
Exact Mass360.09
IUPAC NameN-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1cccnc1
InChIInChI=1S/C14H15F3N4O2S/c15-14(16,17)9-21-8-10-3-1-5-12(13(10)19-21)20-24(22,23)11-4-2-6-18-7-11/h2,4,6-8,12,20H,1,3,5,9H2/t12-/m0/s1
InChIKeyCQUYQWWTGPIWQH-LBPRGKRZSA-N
XLogP2.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[(7R)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
CID 97346805
2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346523
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
CID 75475685
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 116650196
(7R)-N-[(3-fluorophenyl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346771
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120722213
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120722212
N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 166242958
2-[(7S)-7-[(4-methoxyphenyl)sulfonylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
CID 97346810
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75475662
2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
CID 97346977
2-morpholin-4-yl-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]benzamide
CID 97347013

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide (CID 97346822) is N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide is O=S(=O)(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1cccnc1.
What is the InChIKey of N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide?
The InChIKey is CQUYQWWTGPIWQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15F3N4O2S/c15-14(16,17)9-21-8-10-3-1-5-12(13(10)19-21)20-24(22,23)11-4-2-6-18-7-11/h2,4,6-8,12,20H,1,3,5,9H2/t12-/m0/s1.
What are the key properties of N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide?
N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide has a molecular weight of 360.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97346822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).