2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide

C11H15FN2O3S — CID 81478779

IUPAC2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6(2)14-11(15)9-5-8(18(13,16)17)4-7(3)10(9)12/h4-6H,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyRDLICAXEWWZCRT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.92
Rot. Bonds3

About 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide

2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 81478779) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
PubChem CID81478779
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C)c1F
InChIInChI=1S/C11H15FN2O3S/c1-6(2)14-11(15)9-5-8(18(13,16)17)4-7(3)10(9)12/h4-6H,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyRDLICAXEWWZCRT-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 104830380
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
4-methylpentan-2-yl 2-fluoro-3-methyl-5-sulfamoylbenzoate
CID 81479999
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
4-fluoro-3-(1-methoxypropan-2-ylcarbamoyl)-5-methylbenzenesulfonyl chloride
CID 81478510
2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81478870
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131
2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81482028
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide (CID 81478779) is 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide is Cc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is RDLICAXEWWZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-6(2)14-11(15)9-5-8(18(13,16)17)4-7(3)10(9)12/h4-6H,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide?
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 81478779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).