6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

C15H21N7O5S2 — CID 155089544

IUPAC6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(N2CCC[C@H](O)C2)c1-c1nn[nH]n1
InChIInChI=1S/C15H21N7O5S2/c16-29(26,27)14-12(28(24,25)10-6-17-7-10)4-3-11(13(14)15-18-20-21-19-15)22-5-1-2-9(23)8-22/h3-4,9-10,17,23H,1-2,5-8H2,(H2,16,26,27)(H,18,19,20,21)/t9-/m0/s1
InChIKeyRRBJTJSMLWAGDN-VIFPVBQESA-N
MW443.51 g/mol
LogP-1.78
Rot. Bonds5

About 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 155089544) has the molecular formula C15H21N7O5S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID155089544
Molecular FormulaC15H21N7O5S2
Molecular Weight443.51 g/mol
Exact Mass443.10
IUPAC Name6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(N2CCC[C@H](O)C2)c1-c1nn[nH]n1
InChIInChI=1S/C15H21N7O5S2/c16-29(26,27)14-12(28(24,25)10-6-17-7-10)4-3-11(13(14)15-18-20-21-19-15)22-5-1-2-9(23)8-22/h3-4,9-10,17,23H,1-2,5-8H2,(H2,16,26,27)(H,18,19,20,21)/t9-/m0/s1
InChIKeyRRBJTJSMLWAGDN-VIFPVBQESA-N
XLogP-1.78
TPSA184.26 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 155089544) is 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(S(=O)(=O)C2CNC2)ccc(N2CCC[C@H](O)C2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is RRBJTJSMLWAGDN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H21N7O5S2/c16-29(26,27)14-12(28(24,25)10-6-17-7-10)4-3-11(13(14)15-18-20-21-19-15)22-5-1-2-9(23)8-22/h3-4,9-10,17,23H,1-2,5-8H2,(H2,16,26,27)(H,18,19,20,21)/t9-/m0/s1.
What are the key properties of 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 443.51 g/mol, XLogP of -1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylsulfonyl)-3-[(3S)-3-hydroxypiperidin-1-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 155089544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).