N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide

C14H16F3N3O2S2 — CID 72718589

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1
InChIInChI=1S/C14H16F3N3O2S2/c15-14(16,17)13-10-4-1-2-5-11(10)20(19-13)8-7-18-24(21,22)12-6-3-9-23-12/h3,6,9,18H,1-2,4-5,7-8H2
InChIKeyVROUZZZZQJZRBH-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.82
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 72718589) has the molecular formula C14H16F3N3O2S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID72718589
Molecular FormulaC14H16F3N3O2S2
Molecular Weight379.43 g/mol
Exact Mass379.06
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1
InChIInChI=1S/C14H16F3N3O2S2/c15-14(16,17)13-10-4-1-2-5-11(10)20(19-13)8-7-18-24(21,22)12-6-3-9-23-12/h3,6,9,18H,1-2,4-5,7-8H2
InChIKeyVROUZZZZQJZRBH-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine
CID 97404986
N-[(1S,4S)-4-(1-benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 40777611
N-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 40780396
5-bromo-N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]thiophene-2-sulfonamide
CID 71808358
N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)thiophene-2-sulfonamide
CID 91629709
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771349
1-(2,5-difluorophenyl)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)methanesulfonamide
CID 71797439
5-chloro-N-[(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl]thiophene-2-sulfonamide
CID 71808351
N-{2-[3,5-dimethyl-4-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}thiophene-2-sulfonamide
CID 122161689
N-{2-[3,5-dimethyl-4-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}-3,3,3-trifluoropropane-1-sulfonamide
CID 122161711
N-(2-(3,5-dimethyl-4-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 122244573

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide (CID 72718589) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is VROUZZZZQJZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S2/c15-14(16,17)13-10-4-1-2-5-11(10)20(19-13)8-7-18-24(21,22)12-6-3-9-23-12/h3,6,9,18H,1-2,4-5,7-8H2.
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 72718589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).