2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide

C11H13ClN4O2S2 — CID 61053667

IUPAC2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S2/c1-16-9-4-2-3-8(7(9)5-14-16)15-20(17,18)10-6-13-11(12)19-10/h5-6,8,15H,2-4H2,1H3
InChIKeyBWVUNAGNUMPAMJ-UHFFFAOYSA-N
MW332.84 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 61053667) has the molecular formula C11H13ClN4O2S2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
PubChem CID61053667
Molecular FormulaC11H13ClN4O2S2
Molecular Weight332.84 g/mol
Exact Mass332.02
IUPAC Name2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide
SMILESCn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN4O2S2/c1-16-9-4-2-3-8(7(9)5-14-16)15-20(17,18)10-6-13-11(12)19-10/h5-6,8,15H,2-4H2,1H3
InChIKeyBWVUNAGNUMPAMJ-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide (CID 61053667) is 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide is Cn1ncc2c1CCCC2NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is BWVUNAGNUMPAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S2/c1-16-9-4-2-3-8(7(9)5-14-16)15-20(17,18)10-6-13-11(12)19-10/h5-6,8,15H,2-4H2,1H3.
What are the key properties of 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 332.84 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61053667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).