5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide

C17H23N3O2S — CID 167874563

IUPAC5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc2c(c1)CCC2NS(=O)(=O)c1cn[nH]c1C(C)(C)C
InChIInChI=1S/C17H23N3O2S/c1-11-5-7-13-12(9-11)6-8-14(13)20-23(21,22)15-10-18-19-16(15)17(2,3)4/h5,7,9-10,14,20H,6,8H2,1-4H3,(H,18,19)
InChIKeyLTNXWPZPZDGGCW-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.98
Rot. Bonds3

About 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide

5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 167874563) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide
PubChem CID167874563
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc2c(c1)CCC2NS(=O)(=O)c1cn[nH]c1C(C)(C)C
InChIInChI=1S/C17H23N3O2S/c1-11-5-7-13-12(9-11)6-8-14(13)20-23(21,22)15-10-18-19-16(15)17(2,3)4/h5,7,9-10,14,20H,6,8H2,1-4H3,(H,18,19)
InChIKeyLTNXWPZPZDGGCW-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61274952
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide
CID 154865052
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)thieno[3,2-b]pyridine-6-sulfonamide
CID 154872561
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922391
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide (CID 167874563) is 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide is Cc1ccc2c(c1)CCC2NS(=O)(=O)c1cn[nH]c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LTNXWPZPZDGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11-5-7-13-12(9-11)6-8-14(13)20-23(21,22)15-10-18-19-16(15)17(2,3)4/h5,7,9-10,14,20H,6,8H2,1-4H3,(H,18,19).
What are the key properties of 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide?
5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 167874563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).