[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate

C19H17NO5S2 — CID 68800521

IUPAC[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)sc2OC(=O)O)c1
InChIInChI=1S/C19H17NO5S2/c1-12-8-9-13(2)17(10-12)27(23,24)20-15-11-16(14-6-4-3-5-7-14)26-18(15)25-19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyGRJLGIYQSJFSOT-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.89
Rot. Bonds5

About [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate

[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (PubChem CID 68800521) has the molecular formula C19H17NO5S2 and a molecular weight of 403.48 g/mol. Its IUPAC name is [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
PubChem CID68800521
Molecular FormulaC19H17NO5S2
Molecular Weight403.48 g/mol
Exact Mass403.05
IUPAC Name[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)sc2OC(=O)O)c1
InChIInChI=1S/C19H17NO5S2/c1-12-8-9-13(2)17(10-12)27(23,24)20-15-11-16(14-6-4-3-5-7-14)26-18(15)25-19(21)22/h3-11,20H,1-2H3,(H,21,22)
InChIKeyGRJLGIYQSJFSOT-UHFFFAOYSA-N
XLogP4.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methylphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798644
[3-[(2-methoxy-4-methylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
CID 68798684
[5-(4-methoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799415
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-3-ylthiophen-2-yl] hydrogen carbonate
CID 68796914
[5-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68799436
[3-[(2-methylphenyl)sulfonylamino]-5-pyridin-2-ylthiophen-2-yl] hydrogen carbonate
CID 68797081
3-[(2,4-dimethylphenyl)sulfonylamino]-5-phenylthiophene-2-carboxamide
CID 20775712
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
1-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615685
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
[5-[(3-cyanophenyl)methyl]-3-[(2-methylphenyl)sulfonylamino]thiophen-2-yl] hydrogen carbonate
CID 68798364
4-[(2,5-dimethylphenyl)sulfonylamino]-5-methylthiophene-2-carboxamide
CID 71852238

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (CID 68800521) is [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)sc2OC(=O)O)c1.
What is the InChIKey of [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The InChIKey is GRJLGIYQSJFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S2/c1-12-8-9-13(2)17(10-12)27(23,24)20-15-11-16(14-6-4-3-5-7-14)26-18(15)25-19(21)22/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
[3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate has a molecular weight of 403.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dimethylphenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68800521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).