N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C16H18F3N3O2S — CID 71808357

IUPACN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C16H18F3N3O2S/c1-22-15-8-3-2-7-13(15)14(21-22)10-20-25(23,24)12-6-4-5-11(9-12)16(17,18)19/h4-6,9,20H,2-3,7-8,10H2,1H3
InChIKeyQOOGTWPKRRRSRA-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.80
Rot. Bonds4

About N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71808357) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71808357
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCCC2
InChIInChI=1S/C16H18F3N3O2S/c1-22-15-8-3-2-7-13(15)14(21-22)10-20-25(23,24)12-6-4-5-11(9-12)16(17,18)19/h4-6,9,20H,2-3,7-8,10H2,1H3
InChIKeyQOOGTWPKRRRSRA-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)methanesulfonamide
CID 24826093
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-propanesulfonamide
CID 24826368
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)cyclopropanesulfonamide
CID 24826369
N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzenesulfonamide
CID 50992864
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
US9156811, Ddd99822
CID 46179307
US9156811, Ddd88560
CID 58561234
US9156811, Ddd90059
CID 117905418
1,3,5-trimethyl-N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-pyrazole-4-sulfonamide
CID 3243361
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 969900

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 71808357) is N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cn1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c2c1CCCC2.
What is the InChIKey of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QOOGTWPKRRRSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-22-15-8-3-2-7-13(15)14(21-22)10-20-25(23,24)12-6-4-5-11(9-12)16(17,18)19/h4-6,9,20H,2-3,7-8,10H2,1H3.
What are the key properties of N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71808357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).