N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide

C12H17FN2O3S — CID 65374785

IUPACN-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-4-8(3)15-12(16)9-5-7(2)11(13)10(6-9)19(14,17)18/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyYJUACSJEBYAFAG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.31
Rot. Bonds4

About N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide

N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide (PubChem CID 65374785) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
PubChem CID65374785
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCCC(C)NC(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-4-8(3)15-12(16)9-5-7(2)11(13)10(6-9)19(14,17)18/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyYJUACSJEBYAFAG-UHFFFAOYSA-N
XLogP1.31
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
2-fluoro-3-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370425
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
2-propan-2-yloxyethyl 4-fluoro-3-methyl-5-sulfamoylbenzoate
CID 65382691
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855003
4-methylpentyl 4-fluoro-3-methyl-5-sulfamoylbenzoate
CID 65379865
2-fluoro-3-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 65373779
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65374852
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide (CID 65374785) is N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide is CCC(C)NC(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1.
What is the InChIKey of N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The InChIKey is YJUACSJEBYAFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-4-8(3)15-12(16)9-5-7(2)11(13)10(6-9)19(14,17)18/h5-6,8H,4H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide has a molecular weight of 288.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65374785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).