2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C12H10ClNO4S3 — CID 43343863

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2
InChIInChI=1S/C12H10ClNO4S3/c13-8-4-5-9(20-8)21(17,18)14-11-10(12(15)16)6-2-1-3-7(6)19-11/h4-5,14H,1-3H2,(H,15,16)
InChIKeyBLDLMCUYXOBIRO-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.45
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (PubChem CID 43343863) has the molecular formula C12H10ClNO4S3 and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
PubChem CID43343863
Molecular FormulaC12H10ClNO4S3
Molecular Weight363.87 g/mol
Exact Mass362.95
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2
InChIInChI=1S/C12H10ClNO4S3/c13-8-4-5-9(20-8)21(17,18)14-11-10(12(15)16)6-2-1-3-7(6)19-11/h4-5,14H,1-3H2,(H,15,16)
InChIKeyBLDLMCUYXOBIRO-UHFFFAOYSA-N
XLogP3.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid with MolForge

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Related Compounds

2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
5-chloro-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)thiophene-2-sulfonamide
CID 2123309
(2R)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 41398081
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
2-(phenylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860251
2-[(3,4-dimethylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2106313
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860318
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 28859093
2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1220084
2-[(4-bromophenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1219705

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (CID 43343863) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccc(Cl)s2)sc2c1CCC2.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The InChIKey is BLDLMCUYXOBIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S3/c13-8-4-5-9(20-8)21(17,18)14-11-10(12(15)16)6-2-1-3-7(6)19-11/h4-5,14H,1-3H2,(H,15,16).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid has a molecular weight of 363.87 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is sourced from PubChem (CID 43343863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).