N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C16H18N6O3S — CID 137499750

IUPACN-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C16H18N6O3S/c1-12(23)10-18-26(24,25)15-4-2-14(3-5-15)16-19-21-22(20-16)11-13-6-8-17-9-7-13/h2-9,12,18,23H,10-11H2,1H3/t12-/m1/s1
InChIKeyZTYWVODWVMUYML-GFCCVEGCSA-N
MW374.43 g/mol
LogP0.44
Rot. Bonds7

About N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499750) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499750
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC NameN-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C16H18N6O3S/c1-12(23)10-18-26(24,25)15-4-2-14(3-5-15)16-19-21-22(20-16)11-13-6-8-17-9-7-13/h2-9,12,18,23H,10-11H2,1H3/t12-/m1/s1
InChIKeyZTYWVODWVMUYML-GFCCVEGCSA-N
XLogP0.44
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
N-(2-hydroxyethyl)-4-[2-(3-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499675
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-ethyl-4-[2-(4-pyridylmethyl)tetrazol-5-yl]benzenesulfonamide
CID 137499753
4-[2-[(3,5-difluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 137499764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499750) is N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is ZTYWVODWVMUYML-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-12(23)10-18-26(24,25)15-4-2-14(3-5-15)16-19-21-22(20-16)11-13-6-8-17-9-7-13/h2-9,12,18,23H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 374.43 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).