N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide

C14H21FN2O3S — CID 63821086

IUPACN-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(C)(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(8-11(12)15)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyPABGKIZXSASCBP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.48
Rot. Bonds4

About N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide

N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide (PubChem CID 63821086) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
PubChem CID63821086
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(C)(C)C
InChIInChI=1S/C14H21FN2O3S/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(8-11(12)15)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyPABGKIZXSASCBP-UHFFFAOYSA-N
XLogP2.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
N-(2-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520209
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-fluoro-4-sulfamoylphenyl)-2-methyl-3-methylsulfanylpropanamide
CID 114217249
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
N-(5-bromo-4-fluoro-2-methylphenyl)-3,4,4-trimethylpentanamide
CID 107592531
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
1,1-diethyl-3-(2-fluoro-4-sulfamoylphenyl)urea
CID 79162190
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide (CID 63821086) is N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(S(N)(=O)=O)cc1F)C(C)(C)C.
What is the InChIKey of N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide?
The InChIKey is PABGKIZXSASCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-9(14(2,3)4)7-13(18)17-12-6-5-10(8-11(12)15)21(16,19)20/h5-6,8-9H,7H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide?
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide has a molecular weight of 316.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63821086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).