N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide

C21H17NO2S2 — CID 66907345

IUPACN-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C21H17NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h1-15H,16H2
InChIKeyLZBWWDLNOMNOHU-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.30
Rot. Bonds5

About N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide

N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide (PubChem CID 66907345) has the molecular formula C21H17NO2S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide
PubChem CID66907345
Molecular FormulaC21H17NO2S2
Molecular Weight379.51 g/mol
Exact Mass379.07
IUPAC NameN-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cc2ccccc2s1
InChIInChI=1S/C21H17NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h1-15H,16H2
InChIKeyLZBWWDLNOMNOHU-UHFFFAOYSA-N
XLogP5.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-N-(3-bromo-1-benzothiophen-2-yl)benzenesulfonamide
CID 66907104
4-amino-N-(1-benzothiophen-2-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920372
N-(2-aminoethyl)-N-(3-chloro-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920388
N-(3-chloro-1-benzothiophen-2-yl)-N-(cyclohexylmethyl)benzenesulfonamide
CID 57920399
N-(1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920413
N-(3-bromo-1-benzothiophen-2-yl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57920442
N-[(3,4-difluorophenyl)methyl]-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
CID 57920465
N-(1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920469
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(dimethylamino)benzenesulfonamide
CID 57920477
N-(1-benzothiophen-2-yl)-4-(methanesulfonamido)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 57920503
N-(1-benzothiophen-2-yl)-N-(2-cyclopropylethyl)-4-(methylamino)benzenesulfonamide
CID 57920523
N-(3-bromo-1-benzothiophen-2-yl)-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 57920529

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide (CID 66907345) is N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide?
The InChIKey is LZBWWDLNOMNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S2/c23-26(24,19-12-5-2-6-13-19)22(16-17-9-3-1-4-10-17)21-15-18-11-7-8-14-20(18)25-21/h1-15H,16H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide has a molecular weight of 379.51 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-benzylbenzenesulfonamide is sourced from PubChem (CID 66907345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).