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

C16H16ClF2N5O3S2 — CID 169032130

IUPAC4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)c3cnn(-c4nnc(C(F)F)s4)c3c2)CC1CCO
InChIInChI=1S/C16H16ClF2N5O3S2/c1-16(6-8(16)2-3-25)23-29(26,27)9-4-11(17)10-7-20-24(12(10)5-9)15-22-21-14(28-15)13(18)19/h4-5,7-8,13,23,25H,2-3,6H2,1H3
InChIKeyVLAYAYACUFWICK-UHFFFAOYSA-N
MW463.92 g/mol
LogP2.91
Rot. Bonds7

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

4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide (PubChem CID 169032130) has the molecular formula C16H16ClF2N5O3S2 and a molecular weight of 463.92 g/mol. Its IUPAC name is 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide
PubChem CID169032130
Molecular FormulaC16H16ClF2N5O3S2
Molecular Weight463.92 g/mol
Exact Mass463.04
IUPAC Name4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide
SMILESCC1(NS(=O)(=O)c2cc(Cl)c3cnn(-c4nnc(C(F)F)s4)c3c2)CC1CCO
InChIInChI=1S/C16H16ClF2N5O3S2/c1-16(6-8(16)2-3-25)23-29(26,27)9-4-11(17)10-7-20-24(12(10)5-9)15-22-21-14(28-15)13(18)19/h4-5,7-8,13,23,25H,2-3,6H2,1H3
InChIKeyVLAYAYACUFWICK-UHFFFAOYSA-N
XLogP2.91
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S,2S)-1-cyano-2-(2-hydroxyethyl)cyclopropyl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169032113
4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-methoxy-N-(1-methylcyclopropyl)indazole-6-sulfonamide
CID 178142987
(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
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
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide
CID 169031982
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]indazole-6-sulfonamide
CID 169032036
4-[(8aR)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-N-(1-cyanocyclopropyl)-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide;4-[(8aS)-2-methyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-N-(1-cyanocyclopropyl)-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide
CID 167677216
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
N-(1-methylcyclopropyl)-4-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-6-sulfonamide
CID 176751958
N-[1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(3-methylpiperazin-1-yl)indazol-6-yl]sulfanyl-1-methylcyclopropan-1-amine
CID 170240382
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
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide?
The IUPAC name of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide (CID 169032130) is 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide.
What is the SMILES notation for 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide?
The canonical SMILES for 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide is CC1(NS(=O)(=O)c2cc(Cl)c3cnn(-c4nnc(C(F)F)s4)c3c2)CC1CCO.
What is the InChIKey of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide?
The InChIKey is VLAYAYACUFWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O3S2/c1-16(6-8(16)2-3-25)23-29(26,27)9-4-11(17)10-7-20-24(12(10)5-9)15-22-21-14(28-15)13(18)19/h4-5,7-8,13,23,25H,2-3,6H2,1H3.
What are the key properties of 4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide?
4-chloro-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide has a molecular weight of 463.92 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 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]-N-[2-(2-hydroxyethyl)-1-methylcyclopropyl]indazole-6-sulfonamide is sourced from PubChem (CID 169032130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).