3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C16H17N7O3S — CID 118266116

IUPAC3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O3S/c17-27(24,25)13-3-1-2-12(15(13)16-19-21-22-20-16)11-4-5-14(18-10-11)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H2,17,24,25)(H,19,20,21,22)
InChIKeyMLEFBNZSOZHHQX-UHFFFAOYSA-N
MW387.43 g/mol
LogP0.41
Rot. Bonds4

About 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266116) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266116
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC Name3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H17N7O3S/c17-27(24,25)13-3-1-2-12(15(13)16-19-21-22-20-16)11-4-5-14(18-10-11)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H2,17,24,25)(H,19,20,21,22)
InChIKeyMLEFBNZSOZHHQX-UHFFFAOYSA-N
XLogP0.41
TPSA139.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266116) is 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(N3CCOCC3)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is MLEFBNZSOZHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O3S/c17-27(24,25)13-3-1-2-12(15(13)16-19-21-22-20-16)11-4-5-14(18-10-11)23-6-8-26-9-7-23/h1-5,10H,6-9H2,(H2,17,24,25)(H,19,20,21,22).
What are the key properties of 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).