4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide

C15H16N6O3S2 — CID 17059936

IUPAC4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H16N6O3S2/c16-26(23,24)13-8-6-11(7-9-13)17-14(22)10-25-15-18-19-20-21(15)12-4-2-1-3-5-12/h1-9,14,17,22H,10H2,(H2,16,23,24)
InChIKeyDHCKUNRQPYEDRJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP0.83
Rot. Bonds7

About 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide

4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide (PubChem CID 17059936) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide
PubChem CID17059936
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC Name4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC(O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H16N6O3S2/c16-26(23,24)13-8-6-11(7-9-13)17-14(22)10-25-15-18-19-20-21(15)12-4-2-1-3-5-12/h1-9,14,17,22H,10H2,(H2,16,23,24)
InChIKeyDHCKUNRQPYEDRJ-UHFFFAOYSA-N
XLogP0.83
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
1-chloro-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 15140296
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
1-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
CID 70682154
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
1-(1-phenyltetrazol-5-yl)sulfanyl-N-propylpentan-2-amine
CID 64650163
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N-(4-anilinophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-propan-2-ylacetamide
CID 16539690
methyl 2-(methylamino)-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035385

Frequently Asked Questions

What is the IUPAC name of 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide (CID 17059936) is 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC(O)CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide?
The InChIKey is DHCKUNRQPYEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c16-26(23,24)13-8-6-11(7-9-13)17-14(22)10-25-15-18-19-20-21(15)12-4-2-1-3-5-12/h1-9,14,17,22H,10H2,(H2,16,23,24).
What are the key properties of 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide?
4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide has a molecular weight of 392.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-hydroxy-2-(1-phenyltetrazol-5-yl)sulfanylethyl]amino]benzenesulfonamide is sourced from PubChem (CID 17059936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).