N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

C16H12F3NO2S2 — CID 3819537

IUPACN-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2S2/c17-16(18,19)12-5-7-13(8-6-12)24(21,22)20-9-11-10-23-15-4-2-1-3-14(11)15/h1-8,10,20H,9H2
InChIKeyBHCGUOVGUGQPOU-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.40
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3819537) has the molecular formula C16H12F3NO2S2 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3819537
Molecular FormulaC16H12F3NO2S2
Molecular Weight371.41 g/mol
Exact Mass371.03
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2S2/c17-16(18,19)12-5-7-13(8-6-12)24(21,22)20-9-11-10-23-15-4-2-1-3-14(11)15/h1-8,10,20H,9H2
InChIKeyBHCGUOVGUGQPOU-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj 26990990
CID 11687376
4-[2-(1-Benzothiophen-3-ylmethylamino)ethyl]benzenesulfonamide
CID 168288549
N-(1-benzothiophen-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 2826148
N-(1-benzothiophen-3-ylmethyl)-4-bromobenzenesulfonamide
CID 3866288
N-(1-benzothiophen-3-ylmethyl)-4-chlorobenzenesulfonamide
CID 141518718
US10807974, Example 129
CID 130345114
N-(1-benzothiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 3802406
N-(1-benzothiophen-3-ylmethyl)-4-methylbenzenesulfonamide
CID 2826167
N-(1-benzothiophen-3-ylmethyl)-4-cyanobenzenesulfonamide
CID 3722895
N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
CID 4995927
N-[(5-fluoro-1-benzothien-3-yl)methyl]sulfamide
CID 11623060
N-(1-benzothiophen-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 141518720

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3819537) is N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1csc2ccccc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BHCGUOVGUGQPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2S2/c17-16(18,19)12-5-7-13(8-6-12)24(21,22)20-9-11-10-23-15-4-2-1-3-14(11)15/h1-8,10,20H,9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 371.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3819537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).