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

C20H25ClN4O4S3 — CID 175714173

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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