N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide

C16H15NO2S2 — CID 55476960

IUPACN-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C16H15NO2S2/c1-2-12-3-6-15(7-4-12)21(18,19)17-14-5-8-16-13(11-14)9-10-20-16/h3-11,17H,2H2,1H3
InChIKeyDCMYPSGGASKMBK-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.26
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide

N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide (PubChem CID 55476960) has the molecular formula C16H15NO2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
PubChem CID55476960
Molecular FormulaC16H15NO2S2
Molecular Weight317.44 g/mol
Exact Mass317.05
IUPAC NameN-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1
InChIInChI=1S/C16H15NO2S2/c1-2-12-3-6-15(7-4-12)21(18,19)17-14-5-8-16-13(11-14)9-10-20-16/h3-11,17H,2H2,1H3
InChIKeyDCMYPSGGASKMBK-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
N-(1-benzothiophen-5-yl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106003729
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
1-(2-aminoethyl)-N-(1-benzothiophen-5-yl)pyrazole-4-sulfonamide
CID 106003518
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide (CID 55476960) is N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide?
The InChIKey is DCMYPSGGASKMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S2/c1-2-12-3-6-15(7-4-12)21(18,19)17-14-5-8-16-13(11-14)9-10-20-16/h3-11,17H,2H2,1H3.
What are the key properties of N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide?
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide has a molecular weight of 317.44 g/mol, XLogP of 4.26, 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)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 55476960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).