N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide

C14H11F2NO4S2 — CID 97083421

IUPACN-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
SMILESO=S1(=O)C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C14H11F2NO4S2/c15-9-5-6-11(16)14(7-9)23(20,21)17-12-8-22(18,19)13-4-2-1-3-10(12)13/h1-7,12,17H,8H2/t12-/m1/s1
InChIKeyKHYFXVZBNUYADL-GFCCVEGCSA-N
MW359.38 g/mol
LogP1.77
Rot. Bonds3

About N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide

N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 97083421) has the molecular formula C14H11F2NO4S2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
PubChem CID97083421
Molecular FormulaC14H11F2NO4S2
Molecular Weight359.38 g/mol
Exact Mass359.01
IUPAC NameN-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
SMILESO=S1(=O)C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C14H11F2NO4S2/c15-9-5-6-11(16)14(7-9)23(20,21)17-12-8-22(18,19)13-4-2-1-3-10(12)13/h1-7,12,17H,8H2/t12-/m1/s1
InChIKeyKHYFXVZBNUYADL-GFCCVEGCSA-N
XLogP1.77
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide 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

1,1-Dioxo-1H-1lambda*6*-benzo[b]thiophene-6-sulfonic acid benzylamide
CID 44403268
N-(3,4-dihydro-2H-thiochromen-4-yl)benzenesulfonamide
CID 16306134
N-(1-benzothiophen-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 2826148
N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
CID 4995927
N-(1-benzothiophen-3-ylmethyl)-2-fluorobenzenesulfonamide
CID 141518725
N-(1-benzothiophen-2-ylmethyl)-2-fluorobenzenesulfonamide
CID 141518729
N-(1-benzothiophen-2-ylmethyl)-4-fluorobenzenesulfonamide
CID 141518730
N-(1-benzothiophen-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 141518735
2,3-Dihydrobenzo(b)thiophen-3-amine 1,1-dioxide
CID 43522883
6-fluoro-3,4-dihydro-2H-thiochromen-4-amine 1,1-dioxide hydrochloride
CID 66873751
2,3-Dihydro-benzo[b]thiophen-3-amine 1,1-dioxide hydrochloride
CID 71756835
(3S,4R)-4-(4-fluorophenyl)sulfonyl-1,1-dioxo-N-(1-phenylethyl)thiolan-3-amine
CID 20897875

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide (CID 97083421) is N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide is O=S1(=O)C[C@@H](NS(=O)(=O)c2cc(F)ccc2F)c2ccccc21.
What is the InChIKey of N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KHYFXVZBNUYADL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H11F2NO4S2/c15-9-5-6-11(16)14(7-9)23(20,21)17-12-8-22(18,19)13-4-2-1-3-10(12)13/h1-7,12,17H,8H2/t12-/m1/s1.
What are the key properties of N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide?
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 359.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 97083421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).