4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide

C11H17FN2O4S2 — CID 63855523

IUPAC4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-8(2)5-6-19(15,16)14-10-7-9(12)3-4-11(10)20(13,17)18/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,17,18)
InChIKeyAJROPQYKXLATIG-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.26
Rot. Bonds6

About 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide

4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide (PubChem CID 63855523) has the molecular formula C11H17FN2O4S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
PubChem CID63855523
Molecular FormulaC11H17FN2O4S2
Molecular Weight324.40 g/mol
Exact Mass324.06
IUPAC Name4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H17FN2O4S2/c1-8(2)5-6-19(15,16)14-10-7-9(12)3-4-11(10)20(13,17)18/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,17,18)
InChIKeyAJROPQYKXLATIG-UHFFFAOYSA-N
XLogP1.26
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63821952
2-(difluoromethylsulfonylamino)-4-fluorobenzenesulfonamide
CID 61132903
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63856972
N-(4-bromo-2,5-difluorophenyl)-3-methylbutane-1-sulfonamide
CID 103844052
N-(4-chloro-2-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 81433817
N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbutane-1-sulfonamide
CID 106831925
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide (CID 63855523) is 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide is CC(C)CCS(=O)(=O)Nc1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide?
The InChIKey is AJROPQYKXLATIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S2/c1-8(2)5-6-19(15,16)14-10-7-9(12)3-4-11(10)20(13,17)18/h3-4,7-8,14H,5-6H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide?
4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 63855523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).