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

C17H14N2O5S2 — CID 68797081

IUPAC[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccccn2)sc1OC(=O)O
InChIInChI=1S/C17H14N2O5S2/c1-11-6-2-3-8-15(11)26(22,23)19-13-10-14(12-7-4-5-9-18-12)25-16(13)24-17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyWXERHULVQUNRHW-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.98
Rot. Bonds5

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

[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate (PubChem CID 68797081) has the molecular formula C17H14N2O5S2 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
PubChem CID68797081
Molecular FormulaC17H14N2O5S2
Molecular Weight390.44 g/mol
Exact Mass390.03
IUPAC Name[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccccn2)sc1OC(=O)O
InChIInChI=1S/C17H14N2O5S2/c1-11-6-2-3-8-15(11)26(22,23)19-13-10-14(12-7-4-5-9-18-12)25-16(13)24-17(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyWXERHULVQUNRHW-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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Related Compounds

[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
CID 68796914
[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799415
[5-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799436
[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68800521
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
[5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798364
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
3-[(2-methylphenyl)sulfonylamino]-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CID 10226303
5-(3-acetamidophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 10296333
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
2-methyl-N-phenylbenzenesulfonamide
CID 3017048

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate (CID 68797081) is [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate is Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccccn2)sc1OC(=O)O.
What is the InChIKey of [3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate?
The InChIKey is WXERHULVQUNRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S2/c1-11-6-2-3-8-15(11)26(22,23)19-13-10-14(12-7-4-5-9-18-12)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-2-ylthiophen-2-yl] hydrogen carbonate?
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-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-2-ylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68797081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).