4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide

C15H14ClF2N5O3S2 — CID 178142987

IUPAC4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide
SMILESCOc1nn(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Cl)c12
InChIInChI=1S/C15H14ClF2N5O3S2/c1-15(3-4-15)22-28(24,25)7-5-8(16)10-9(6-7)23(21-12(10)26-2)14-20-19-13(27-14)11(17)18/h5-6,11,22H,3-4H2,1-2H3
InChIKeyNPTQHZSLLVDORN-UHFFFAOYSA-N
MW449.89 g/mol
LogP3.31
Rot. Bonds6

About 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide

4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide (PubChem CID 178142987) has the molecular formula C15H14ClF2N5O3S2 and a molecular weight of 449.89 g/mol. Its IUPAC name is 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide
PubChem CID178142987
Molecular FormulaC15H14ClF2N5O3S2
Molecular Weight449.89 g/mol
Exact Mass449.02
IUPAC Name4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide
SMILESCOc1nn(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Cl)c12
InChIInChI=1S/C15H14ClF2N5O3S2/c1-15(3-4-15)22-28(24,25)7-5-8(16)10-9(6-7)23(21-12(10)26-2)14-20-19-13(27-14)11(17)18/h5-6,11,22H,3-4H2,1-2H3
InChIKeyNPTQHZSLLVDORN-UHFFFAOYSA-N
XLogP3.31
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 6-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-6-[(1-methylcyclopropyl)sulfamoyl]indazol-4-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 178142985
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(2R,3S)-2-ethylazetidin-3-yl]oxy-N-(1-methylcyclopropyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 178142908
3-[3-deuterio-1-(2-fluoroethyl)azetidin-3-yl]oxy-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 178142915
(2S,6S)-4-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-6-[(1-methylcyclopropyl)sulfamoyl]indazol-4-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170172942
4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide
CID 169032130
7-[(3S,5S)-3,5-bis(methoxymethyl)piperazin-1-yl]-2-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)benzimidazole-5-sulfonamide
CID 178144465
9-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[1-(2-methoxypropanoyl)piperidin-4-yl]-N-(1-methylcyclopropyl)pyrimido[4,5-b]indole-7-sulfonamide
CID 171460952
9-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[(3S)-3,4-dimethylpiperazin-1-yl]-N-(1-methylcyclopropyl)pyrimido[4,5-b]indole-7-sulfonamide
CID 171460891
8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(3-methyloxetan-3-yl)imidazo[1,5-a]pyridine-6-sulfonamide
CID 175970735
9-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-4-[1-(morpholine-4-carbonyl)piperidin-4-yl]pyrimido[4,5-b]indole-7-sulfonamide
CID 171460882
N-(1-cyanocyclopropyl)-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[3-methyl-4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169038494
1-bromo-8-chloro-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[1-(trideuteriomethyl)cyclopropyl]imidazo[1,5-a]pyridine-6-sulfonamide
CID 170700073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide?
The IUPAC name of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide (CID 178142987) is 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide.
What is the SMILES notation for 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide?
The canonical SMILES for 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide is COc1nn(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)cc(Cl)c12.
What is the InChIKey of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide?
The InChIKey is NPTQHZSLLVDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N5O3S2/c1-15(3-4-15)22-28(24,25)7-5-8(16)10-9(6-7)23(21-12(10)26-2)14-20-19-13(27-14)11(17)18/h5-6,11,22H,3-4H2,1-2H3.
What are the key properties of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide?
4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide has a molecular weight of 449.89 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide is sourced from PubChem (CID 178142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).