7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide

C16H16BrF2N5O2S2 — CID 169044999

IUPAC7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
SMILESCCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Br)c21
InChIInChI=1S/C16H16BrF2N5O2S2/c1-3-24-12-9(11(22-24)14-20-21-15(27-14)13(18)19)6-8(7-10(12)17)28(25,26)23-16(2)4-5-16/h6-7,13,23H,3-5H2,1-2H3
InChIKeyBKOVNXPJPRIJJI-UHFFFAOYSA-N
MW492.37 g/mol
LogP4.11
Rot. Bonds6

About 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide

7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide (PubChem CID 169044999) has the molecular formula C16H16BrF2N5O2S2 and a molecular weight of 492.37 g/mol. Its IUPAC name is 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide.

Molecular Properties

Compound Name7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
PubChem CID169044999
Molecular FormulaC16H16BrF2N5O2S2
Molecular Weight492.37 g/mol
Exact Mass490.99
IUPAC Name7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
SMILESCCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Br)c21
InChIInChI=1S/C16H16BrF2N5O2S2/c1-3-24-12-9(11(22-24)14-20-21-15(27-14)13(18)19)6-8(7-10(12)17)28(25,26)23-16(2)4-5-16/h6-7,13,23H,3-5H2,1-2H3
InChIKeyBKOVNXPJPRIJJI-UHFFFAOYSA-N
XLogP4.11
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?
The IUPAC name of 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide (CID 169044999) is 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide.
What is the SMILES notation for 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?
The canonical SMILES for 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide is CCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Br)c21.
What is the InChIKey of 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?
The InChIKey is BKOVNXPJPRIJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N5O2S2/c1-3-24-12-9(11(22-24)14-20-21-15(27-14)13(18)19)6-8(7-10(12)17)28(25,26)23-16(2)4-5-16/h6-7,13,23H,3-5H2,1-2H3.
What are the key properties of 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide?
7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide has a molecular weight of 492.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide is sourced from PubChem (CID 169044999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).