5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide

C20H25ClN4O4S3 — CID 175714173

IUPAC5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(C)(C)CC3)c3c(Cl)cccc32)s1
InChIInChI=1S/C20H25ClN4O4S3/c1-20(2)10-12-24(13-11-20)19-18-14(21)6-5-7-15(18)25(22-19)32(28,29)17-9-8-16(30-17)31(26,27)23(3)4/h5-9H,10-13H2,1-4H3
InChIKeyVTVARHSBBQTIFJ-UHFFFAOYSA-N
MW517.10 g/mol
LogP3.86
Rot. Bonds5

About 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide

5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 175714173) has the molecular formula C20H25ClN4O4S3 and a molecular weight of 517.10 g/mol. Its IUPAC name is 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
PubChem CID175714173
Molecular FormulaC20H25ClN4O4S3
Molecular Weight517.10 g/mol
Exact Mass516.07
IUPAC Name5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(C)(C)CC3)c3c(Cl)cccc32)s1
InChIInChI=1S/C20H25ClN4O4S3/c1-20(2)10-12-24(13-11-20)19-18-14(21)6-5-7-15(18)25(22-19)32(28,29)17-9-8-16(30-17)31(26,27)23(3)4/h5-9H,10-13H2,1-4H3
InChIKeyVTVARHSBBQTIFJ-UHFFFAOYSA-N
XLogP3.86
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methylsulfanyl]-N,N-dimethylthiophene-2-sulfonamide
CID 163241708
N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
CID 156504188
5-N-[2-(9-azabicyclo[3.3.1]nonan-9-yl)-3-chlorophenyl]-2-N,2-N-dimethylthiophene-2,5-disulfonamide
CID 175714150
2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol
CID 170608129
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane
CID 170607833
5-N-[2-(4,4-diethylpiperidin-1-yl)-3-methylphenyl]-2-N,2-N-dimethylthiophene-2,5-disulfonamide
CID 175714134
5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
CID 70520887
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 25348811
4-chloro-1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-3-(5,5,7-trifluorospiro[2.4]heptan-7-yl)indazole
CID 176557035
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide (CID 175714173) is 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(C)(C)CC3)c3c(Cl)cccc32)s1.
What is the InChIKey of 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is VTVARHSBBQTIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O4S3/c1-20(2)10-12-24(13-11-20)19-18-14(21)6-5-7-15(18)25(22-19)32(28,29)17-9-8-16(30-17)31(26,27)23(3)4/h5-9H,10-13H2,1-4H3.
What are the key properties of 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide?
5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 517.10 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 175714173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).