[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate

C17H14N2O5S2 — CID 68796914

IUPAC[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2cccnc2)sc1OC(=O)O
InChIInChI=1S/C17H14N2O5S2/c1-11-5-2-3-7-15(11)26(22,23)19-13-9-14(12-6-4-8-18-10-12)25-16(13)24-17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyNFNVNXQIQDFTGC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.98
Rot. Bonds5

About [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate

[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate (PubChem CID 68796914) has the molecular formula C17H14N2O5S2 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
PubChem CID68796914
Molecular FormulaC17H14N2O5S2
Molecular Weight390.44 g/mol
Exact Mass390.03
IUPAC Name[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2cccnc2)sc1OC(=O)O
InChIInChI=1S/C17H14N2O5S2/c1-11-5-2-3-7-15(11)26(22,23)19-13-9-14(12-6-4-8-18-10-12)25-16(13)24-17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyNFNVNXQIQDFTGC-UHFFFAOYSA-N
XLogP3.98
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate (CID 68796914) is [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate is Cc1ccccc1S(=O)(=O)Nc1cc(-c2cccnc2)sc1OC(=O)O.
What is the InChIKey of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate?
The InChIKey is NFNVNXQIQDFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S2/c1-11-5-2-3-7-15(11)26(22,23)19-13-9-14(12-6-4-8-18-10-12)25-16(13)24-17(20)21/h2-10,19H,1H3,(H,20,21).
What are the key properties of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate?
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate has a molecular weight of 390.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68796914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).