N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C15H16N6O3S — CID 137499675

IUPACN-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C15H16N6O3S/c22-9-8-17-25(23,24)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-2-1-7-16-10-12/h1-7,10,17,22H,8-9,11H2
InChIKeyGCGNKEUPDDRYQE-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.05
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide

N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499675) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499675
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C15H16N6O3S/c22-9-8-17-25(23,24)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-2-1-7-16-10-12/h1-7,10,17,22H,8-9,11H2
InChIKeyGCGNKEUPDDRYQE-UHFFFAOYSA-N
XLogP0.05
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
1-(phenylsulfonyl)-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 969953
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
N-(2-hydroxyethyl)-4-[2-[(6-methyl-2-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137499684
2,6-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499704
2-[[4-[2-[(5-Methyl-2-pyridyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetamide
CID 137499710
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-3-methyl-benzenesulfonamide
CID 137499713
2-fluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)-5-methyl-benzenesulfonamide
CID 137499719
2,3-difluoro-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499729
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499741
N-[(2R)-2-hydroxypropyl]-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499750
N-ethyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499753

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499675) is N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3cccnc3)n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is GCGNKEUPDDRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c22-9-8-17-25(23,24)14-5-3-13(4-6-14)15-18-20-21(19-15)11-12-2-1-7-16-10-12/h1-7,10,17,22H,8-9,11H2.
What are the key properties of N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(pyridin-3-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).