5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

C18H16FNO3S2 — CID 90597100

IUPAC5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C18H16FNO3S2/c1-23-17-7-6-15(19)10-18(17)25(21,22)20-11-13-4-2-3-5-16(13)14-8-9-24-12-14/h2-10,12,20H,11H2,1H3
InChIKeyIIQRVRXBOBSECP-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.04
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (PubChem CID 90597100) has the molecular formula C18H16FNO3S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
PubChem CID90597100
Molecular FormulaC18H16FNO3S2
Molecular Weight377.46 g/mol
Exact Mass377.06
IUPAC Name5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C18H16FNO3S2/c1-23-17-7-6-15(19)10-18(17)25(21,22)20-11-13-4-2-3-5-16(13)14-8-9-24-12-14/h2-10,12,20H,11H2,1H3
InChIKeyIIQRVRXBOBSECP-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597078
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
N-[[2-(3-ethylphenyl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 69337322
5-fluoro-2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 50944642
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
3-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 72719573

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide (CID 90597100) is 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is IIQRVRXBOBSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S2/c1-23-17-7-6-15(19)10-18(17)25(21,22)20-11-13-4-2-3-5-16(13)14-8-9-24-12-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 90597100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).