N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide

C9H12ClN3O3S2 — CID 141150888

IUPACN-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C9H12ClN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyAFRVSNNGESYBEH-UHFFFAOYSA-N
MW309.80 g/mol
LogP0.70
Rot. Bonds2

About N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide

N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (PubChem CID 141150888) has the molecular formula C9H12ClN3O3S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
PubChem CID141150888
Molecular FormulaC9H12ClN3O3S2
Molecular Weight309.80 g/mol
Exact Mass309.00
IUPAC NameN-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C9H12ClN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14)
InChIKeyAFRVSNNGESYBEH-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
5-chloro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 28811036
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
5-chloro-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 62380456
5-chloro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-2-sulfonamide
CID 50775946
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418
5-chloro-N-[(1S)-2-hydroxy-1-piperidin-4-ylethyl]thiophene-2-sulfonamide
CID 44571804
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
1-(5-chlorothiophen-2-yl)sulfonyl-3-propylurea
CID 134117146
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119685119

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide (CID 141150888) is N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
The InChIKey is AFRVSNNGESYBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S2/c10-7-1-2-8(17-7)18(15,16)12-9(14)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H,12,14).
What are the key properties of N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide?
N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 141150888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).