3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate

C13H8ClN2O4S2- — CID 7008028

IUPAC3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2O4S2/c14-9-5-6-10(21-9)22(19,20)16-11-7-3-1-2-4-8(7)15-12(11)13(17)18/h1-6,15-16H,(H,17,18)/p-1
InChIKeyVSNWPOFAUWDLFG-UHFFFAOYSA-M
MW355.80 g/mol
LogP2.05
Rot. Bonds4

About 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate

3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 7008028) has the molecular formula C13H8ClN2O4S2- and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID7008028
Molecular FormulaC13H8ClN2O4S2-
Molecular Weight355.80 g/mol
Exact Mass354.96
IUPAC Name3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2O4S2/c14-9-5-6-10(21-9)22(19,20)16-11-7-3-1-2-4-8(7)15-12(11)13(17)18/h1-6,15-16H,(H,17,18)/p-1
InChIKeyVSNWPOFAUWDLFG-UHFFFAOYSA-M
XLogP2.05
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7006411
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
5-chloro-N-(5,8-dimethyl-9H-carbazol-1-yl)thiophene-2-sulfonamide
CID 58444147
N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
5-chloro-N-(2-methyl-1H-indol-3-yl)thiophene-2-carboxamide
CID 112527047
5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7008709
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
3-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-1H-indole-2-carboxylic acid
CID 91454028
3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
CID 666090
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
3-bromo-1H-indole-2-carboxylate
CID 2325687
5-chloro-N-(4-hydroxy-3-phenylsulfanylnaphthalen-1-yl)thiophene-2-sulfonamide
CID 58565677

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate (CID 7008028) is 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate is O=C([O-])c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is VSNWPOFAUWDLFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9ClN2O4S2/c14-9-5-6-10(21-9)22(19,20)16-11-7-3-1-2-4-8(7)15-12(11)13(17)18/h1-6,15-16H,(H,17,18)/p-1.
What are the key properties of 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate?
3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 355.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 7008028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).