3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide

C19H23N5O2S — CID 25009706

IUPAC3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c20-27(25,26)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13H2,(H,21,23)(H2,20,25,26)
InChIKeyJSQRFMBGAVZKFV-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.29
Rot. Bonds5

About 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide

3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide (PubChem CID 25009706) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide
PubChem CID25009706
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C19H23N5O2S/c20-27(25,26)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13H2,(H,21,23)(H2,20,25,26)
InChIKeyJSQRFMBGAVZKFV-UHFFFAOYSA-N
XLogP2.29
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide (CID 25009706) is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide?
The InChIKey is JSQRFMBGAVZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c20-27(25,26)18-5-1-3-14(9-18)12-24-8-2-4-17(13-24)22-16-6-7-19-15(10-16)11-21-23-19/h1,3,5-7,9-11,17,22H,2,4,8,12-13H2,(H,21,23)(H2,20,25,26).
What are the key properties of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide?
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25009706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).