N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide

C11H15FN2O5S2 — CID 74236642

IUPACN-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O5S2/c1-2-20(16,17)6-5-14-11(15)9-7-8(21(13,18)19)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyAGIKVRQPHRQKTO-UHFFFAOYSA-N
MW338.38 g/mol
LogP-0.36
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide

N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 74236642) has the molecular formula C11H15FN2O5S2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID74236642
Molecular FormulaC11H15FN2O5S2
Molecular Weight338.38 g/mol
Exact Mass338.04
IUPAC NameN-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O5S2/c1-2-20(16,17)6-5-14-11(15)9-7-8(21(13,18)19)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyAGIKVRQPHRQKTO-UHFFFAOYSA-N
XLogP-0.36
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
N-[2-(2-ethoxyphenyl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 74246247
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-5-sulfamoylbenzamide
CID 103991189
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
N-[2-(2-ethyl-4-sulfamoylphenoxy)ethyl]-2-fluorobenzamide
CID 110315444

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide (CID 74236642) is N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide is CCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is AGIKVRQPHRQKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S2/c1-2-20(16,17)6-5-14-11(15)9-7-8(21(13,18)19)3-4-10(9)12/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H2,13,18,19).
What are the key properties of N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide?
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 338.38 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 74236642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).