3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide

C19H22F2N6O3S2 — CID 168679159

IUPAC3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide
SMILESCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(N3CCOCC3)c21
InChIInChI=1S/C19H22F2N6O3S2/c1-19(3-4-19)25-32(28,29)11-9-12-14(17-22-23-18(31-17)16(20)21)24-26(2)15(12)13(10-11)27-5-7-30-8-6-27/h9-10,16,25H,3-8H2,1-2H3
InChIKeyJVBWOKQZRXOFFX-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.70
Rot. Bonds6

About 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide

3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide (PubChem CID 168679159) has the molecular formula C19H22F2N6O3S2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide
PubChem CID168679159
Molecular FormulaC19H22F2N6O3S2
Molecular Weight484.55 g/mol
Exact Mass484.12
IUPAC Name3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide
SMILESCn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(N3CCOCC3)c21
InChIInChI=1S/C19H22F2N6O3S2/c1-19(3-4-19)25-32(28,29)11-9-12-14(17-22-23-18(31-17)16(20)21)24-26(2)15(12)13(10-11)27-5-7-30-8-6-27/h9-10,16,25H,3-8H2,1-2H3
InChIKeyJVBWOKQZRXOFFX-UHFFFAOYSA-N
XLogP2.70
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide (CID 168679159) is 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide is Cn1nc(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(N3CCOCC3)c21.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide?
The InChIKey is JVBWOKQZRXOFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6O3S2/c1-19(3-4-19)25-32(28,29)11-9-12-14(17-22-23-18(31-17)16(20)21)24-26(2)15(12)13(10-11)27-5-7-30-8-6-27/h9-10,16,25H,3-8H2,1-2H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide?
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide has a molecular weight of 484.55 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-morpholin-4-ylindazole-5-sulfonamide is sourced from PubChem (CID 168679159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).