3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide

C11H11ClN2O3S2 — CID 71860322

IUPAC3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H11ClN2O3S2/c12-8-1-2-9-7(5-8)6-11(18-9)19(16,17)14-4-3-10(13)15/h1-2,5-6,14H,3-4H2,(H2,13,15)
InChIKeyVUPIALMRKWNAJK-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.71
Rot. Bonds5

About 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide

3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide (PubChem CID 71860322) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
PubChem CID71860322
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide
SMILESNC(=O)CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H11ClN2O3S2/c12-8-1-2-9-7(5-8)6-11(18-9)19(16,17)14-4-3-10(13)15/h1-2,5-6,14H,3-4H2,(H2,13,15)
InChIKeyVUPIALMRKWNAJK-UHFFFAOYSA-N
XLogP1.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-5-chloro-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119962251
5-chloro-N-[2-(propylamino)ethyl]-1-benzothiophene-2-sulfonamide
CID 120715854
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725
5-chloro-N-[2-(methylamino)propyl]-1-benzothiophene-2-sulfonamide
CID 120825013
N-[2-(aminomethyl)cyclopentyl]-5-chloro-1-benzothiophene-2-sulfonamide
CID 119985846
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
5-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]pentanamide
CID 106235500
3-[[5-(ethylamino)-4-nitrothiophen-2-yl]sulfonylamino]propanamide
CID 80747104
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
2-[(6-chloronaphthalen-2-yl)sulfonylamino]acetamide
CID 70140824
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
5-chloro-N-[4-[4-(3-oxo-4H-1,4-benzoxazin-8-yl)piperazin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
CID 66801475

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide?
The IUPAC name of 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide (CID 71860322) is 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide.
What is the SMILES notation for 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide?
The canonical SMILES for 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide is NC(=O)CCNS(=O)(=O)c1cc2cc(Cl)ccc2s1.
What is the InChIKey of 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide?
The InChIKey is VUPIALMRKWNAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c12-8-1-2-9-7(5-8)6-11(18-9)19(16,17)14-4-3-10(13)15/h1-2,5-6,14H,3-4H2,(H2,13,15).
What are the key properties of 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide?
3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide has a molecular weight of 318.81 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-benzothiophen-2-yl)sulfonylamino]propanamide is sourced from PubChem (CID 71860322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).