4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide

C10H13FN2O4S — CID 81049854

IUPAC4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
SMILESCOc1cc(C(=O)NCCS(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-9-6-7(2-3-8(9)11)10(14)13-4-5-18(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyNDYFLWIZONLZOS-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.15
Rot. Bonds5

About 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide

4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide (PubChem CID 81049854) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
PubChem CID81049854
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
SMILESCOc1cc(C(=O)NCCS(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-9-6-7(2-3-8(9)11)10(14)13-4-5-18(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyNDYFLWIZONLZOS-UHFFFAOYSA-N
XLogP-0.15
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxybenzamide
CID 80979726
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide (CID 81049854) is 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide is COc1cc(C(=O)NCCS(N)(=O)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide?
The InChIKey is NDYFLWIZONLZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-17-9-6-7(2-3-8(9)11)10(14)13-4-5-18(12,15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide?
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide has a molecular weight of 276.29 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 81049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).