N-(1-benzothiophen-5-yl)propane-1-sulfonamide

C11H13NO2S2 — CID 60705280

IUPACN-(1-benzothiophen-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C11H13NO2S2/c1-2-7-16(13,14)12-10-3-4-11-9(8-10)5-6-15-11/h3-6,8,12H,2,7H2,1H3
InChIKeyYNKQLBYRZBSJNW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.05
Rot. Bonds4

About N-(1-benzothiophen-5-yl)propane-1-sulfonamide

N-(1-benzothiophen-5-yl)propane-1-sulfonamide (PubChem CID 60705280) has the molecular formula C11H13NO2S2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)propane-1-sulfonamide
PubChem CID60705280
Molecular FormulaC11H13NO2S2
Molecular Weight255.36 g/mol
Exact Mass255.04
IUPAC NameN-(1-benzothiophen-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C11H13NO2S2/c1-2-7-16(13,14)12-10-3-4-11-9(8-10)5-6-15-11/h3-6,8,12H,2,7H2,1H3
InChIKeyYNKQLBYRZBSJNW-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
5-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-benzothiophene
CID 106003745
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
2-(1-benzothiophen-5-ylamino)-N-propylacetamide
CID 60751180
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
N-(1-benzothiophen-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544104
4-(aminomethyl)-N-(1-benzothiophen-5-yl)-1H-pyrazole-5-sulfonamide
CID 106003603

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)propane-1-sulfonamide (CID 60705280) is N-(1-benzothiophen-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)propane-1-sulfonamide?
The InChIKey is YNKQLBYRZBSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S2/c1-2-7-16(13,14)12-10-3-4-11-9(8-10)5-6-15-11/h3-6,8,12H,2,7H2,1H3.
What are the key properties of N-(1-benzothiophen-5-yl)propane-1-sulfonamide?
N-(1-benzothiophen-5-yl)propane-1-sulfonamide has a molecular weight of 255.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 60705280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).