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

C16H18FNO3S2 — CID 30944280

IUPAC4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S2/c17-13-3-5-14(6-4-13)23(19,20)18-12-16(7-9-21-10-8-16)15-2-1-11-22-15/h1-6,11,18H,7-10,12H2
InChIKeyUVJULIYEAYEHMT-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.91
Rot. Bonds5

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

4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 30944280) has the molecular formula C16H18FNO3S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
PubChem CID30944280
Molecular FormulaC16H18FNO3S2
Molecular Weight355.46 g/mol
Exact Mass355.07
IUPAC Name4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S2/c17-13-3-5-14(6-4-13)23(19,20)18-12-16(7-9-21-10-8-16)15-2-1-11-22-15/h1-6,11,18H,7-10,12H2
InChIKeyUVJULIYEAYEHMT-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

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451425
2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944278
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 30944322
4-ethoxy-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27451467
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
N-[4-[(1-thiophen-2-ylcyclohexyl)methylsulfamoyl]phenyl]acetamide
CID 30943323
2,2,2-trifluoro-N-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methylsulfamoyl]ethanamine
CID 23600425
4-nitro-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450259
methyl N-[4-[(1-thiophen-2-ylcyclopentyl)methylsulfamoyl]phenyl]carbamate
CID 71806721
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
4-methoxy-3,5-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530651

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide (CID 30944280) is 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is UVJULIYEAYEHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S2/c17-13-3-5-14(6-4-13)23(19,20)18-12-16(7-9-21-10-8-16)15-2-1-11-22-15/h1-6,11,18H,7-10,12H2.
What are the key properties of 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide?
4-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 4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 30944280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).