N-benzhydrylidenethiophene-2-sulfonamide

C17H13NO2S2 — CID 176730447

IUPACN-benzhydrylidenethiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H13NO2S2/c19-22(20,16-12-7-13-21-16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyJYZDETWTNLJUJQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.97
Rot. Bonds4

About N-benzhydrylidenethiophene-2-sulfonamide

N-benzhydrylidenethiophene-2-sulfonamide (PubChem CID 176730447) has the molecular formula C17H13NO2S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-benzhydrylidenethiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzhydrylidenethiophene-2-sulfonamide
PubChem CID176730447
Molecular FormulaC17H13NO2S2
Molecular Weight327.43 g/mol
Exact Mass327.04
IUPAC NameN-benzhydrylidenethiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H13NO2S2/c19-22(20,16-12-7-13-21-16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyJYZDETWTNLJUJQ-UHFFFAOYSA-N
XLogP3.97
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-benzhydrylidenethiophene-2-sulfonamide 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

N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
methyl N'-thiophen-2-ylsulfonylcarbamimidate
CID 74002349
N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 2234502
N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
CID 3445264
(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 18871859
N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide
CID 2317504
N-sulfonylthiophene-2-sulfonamide
CID 88522112
N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 6109154
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
CID 687527
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N-ethylidenethiophene-2-sulfonamide
CID 141046508

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylidenethiophene-2-sulfonamide?
The IUPAC name of N-benzhydrylidenethiophene-2-sulfonamide (CID 176730447) is N-benzhydrylidenethiophene-2-sulfonamide.
What is the SMILES notation for N-benzhydrylidenethiophene-2-sulfonamide?
The canonical SMILES for N-benzhydrylidenethiophene-2-sulfonamide is O=S(=O)(N=C(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of N-benzhydrylidenethiophene-2-sulfonamide?
The InChIKey is JYZDETWTNLJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S2/c19-22(20,16-12-7-13-21-16)18-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of N-benzhydrylidenethiophene-2-sulfonamide?
N-benzhydrylidenethiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylidenethiophene-2-sulfonamide is sourced from PubChem (CID 176730447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).