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

C14H17N3O2S — CID 140554701

IUPACN-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide
SMILESCc1nn(NS(=O)(=O)c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H17N3O2S/c1-11-13-9-5-6-10-14(13)17(15-11)16-20(18,19)12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-10H2,1H3
InChIKeyIMDHSWAYULJPCL-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.00
Rot. Bonds3

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

N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide (PubChem CID 140554701) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide
PubChem CID140554701
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide
SMILESCc1nn(NS(=O)(=O)c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H17N3O2S/c1-11-13-9-5-6-10-14(13)17(15-11)16-20(18,19)12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-10H2,1H3
InChIKeyIMDHSWAYULJPCL-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide (CID 140554701) is N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide is Cc1nn(NS(=O)(=O)c2ccccc2)c2c1CCCC2.
What is the InChIKey of N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide?
The InChIKey is IMDHSWAYULJPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-13-9-5-6-10-14(13)17(15-11)16-20(18,19)12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-10H2,1H3.
What are the key properties of N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide?
N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 140554701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).