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

C14H15N7O3S — CID 137499789

IUPACN-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccncn3)n2)cc1
InChIInChI=1S/C14H15N7O3S/c22-8-7-17-25(23,24)13-3-1-11(2-4-13)14-18-20-21(19-14)9-12-5-6-15-10-16-12/h1-6,10,17,22H,7-9H2
InChIKeyDQYLOWKKXWACLW-UHFFFAOYSA-N
MW361.39 g/mol
LogP-0.55
Rot. Bonds7

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

N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499789) has the molecular formula C14H15N7O3S and a molecular weight of 361.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499789
Molecular FormulaC14H15N7O3S
Molecular Weight361.39 g/mol
Exact Mass361.10
IUPAC NameN-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccncn3)n2)cc1
InChIInChI=1S/C14H15N7O3S/c22-8-7-17-25(23,24)13-3-1-11(2-4-13)14-18-20-21(19-14)9-12-5-6-15-10-16-12/h1-6,10,17,22H,7-9H2
InChIKeyDQYLOWKKXWACLW-UHFFFAOYSA-N
XLogP-0.55
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Mycobacterium Tuberculosis-IN-2
CID 137499806
3-[5-amino-6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470524
4-[[[2-[[3-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 145900919
3-[5-amino-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 164628355
1-[(4-methylphenyl)sulfonyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970935
4-[2-[(2-Phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]benzenesulfonamide
CID 49790231
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499789) is N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2nnn(Cc3ccncn3)n2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is DQYLOWKKXWACLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3S/c22-8-7-17-25(23,24)13-3-1-11(2-4-13)14-18-20-21(19-14)9-12-5-6-15-10-16-12/h1-6,10,17,22H,7-9H2.
What are the key properties of N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 361.39 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(pyrimidin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).