N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide

C19H26N4O2S — CID 72863166

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
SMILESCc1cccc(-n2ncc3c2CCCC3NS(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C19H26N4O2S/c1-14-7-5-9-18(15(14)2)23-19-10-6-8-17(16(19)13-20-23)21-26(24,25)22-11-3-4-12-22/h5,7,9,13,17,21H,3-4,6,8,10-12H2,1-2H3
InChIKeyXTVJJMQWGKWFCA-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide (PubChem CID 72863166) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
PubChem CID72863166
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
SMILESCc1cccc(-n2ncc3c2CCCC3NS(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C19H26N4O2S/c1-14-7-5-9-18(15(14)2)23-19-10-6-8-17(16(19)13-20-23)21-26(24,25)22-11-3-4-12-22/h5,7,9,13,17,21H,3-4,6,8,10-12H2,1-2H3
InChIKeyXTVJJMQWGKWFCA-UHFFFAOYSA-N
XLogP2.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 45202811
2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 97135012
1-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propylurea
CID 72867683
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 24791124
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24817171
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(oxazinan-2-yl)propanamide
CID 24817020
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 72915221
N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiohydroxylamine;2-methylpropane
CID 145306123
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42286140
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
2-[3-[[[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]indol-1-yl]acetamide
CID 42292655

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide (CID 72863166) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide is Cc1cccc(-n2ncc3c2CCCC3NS(=O)(=O)N2CCCC2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide?
The InChIKey is XTVJJMQWGKWFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-7-5-9-18(15(14)2)23-19-10-6-8-17(16(19)13-20-23)21-26(24,25)22-11-3-4-12-22/h5,7,9,13,17,21H,3-4,6,8,10-12H2,1-2H3.
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide has a molecular weight of 374.51 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-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 72863166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).