2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide

C16H18FNO3S2 — CID 30944278

IUPAC2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccccc1F
InChIInChI=1S/C16H18FNO3S2/c17-13-4-1-2-5-14(13)23(19,20)18-12-16(7-9-21-10-8-16)15-6-3-11-22-15/h1-6,11,18H,7-10,12H2
InChIKeyNHVQDZGWOKSBQZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.91
Rot. Bonds5

About 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide

2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 30944278) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
PubChem CID30944278
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccccc1F
InChIInChI=1S/C16H18FNO3S2/c17-13-4-1-2-5-14(13)23(19,20)18-12-16(7-9-21-10-8-16)15-6-3-11-22-15/h1-6,11,18H,7-10,12H2
InChIKeyNHVQDZGWOKSBQZ-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]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

4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 30944322
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431
N-[(1-thiophen-2-ylcyclohexyl)methyl]naphthalene-1-sulfonamide
CID 30943313
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (CID 30944278) is 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is NHVQDZGWOKSBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-13-4-1-2-5-14(13)23(19,20)18-12-16(7-9-21-10-8-16)15-6-3-11-22-15/h1-6,11,18H,7-10,12H2.
What are the key properties of 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 30944278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).