5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H25FN2O2S — CID 106031452

IUPAC5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC(C)C
InChIInChI=1S/C15H25FN2O2S/c1-6-15(4,5)18-21(19,20)14-9-13(16)8-7-12(14)10-17-11(2)3/h7-9,11,17-18H,6,10H2,1-5H3
InChIKeyAWKOVVTYSLNXNK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.79
Rot. Bonds7

About 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide

5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106031452) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106031452
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC(C)C
InChIInChI=1S/C15H25FN2O2S/c1-6-15(4,5)18-21(19,20)14-9-13(16)8-7-12(14)10-17-11(2)3/h7-9,11,17-18H,6,10H2,1-5H3
InChIKeyAWKOVVTYSLNXNK-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 102920286
N-tert-butyl-2-[(cyclopropylamino)methyl]-5-fluorobenzenesulfonamide
CID 102920451
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-(2-methylbutan-2-yl)-4-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 106031454
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106031452) is 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cc(F)ccc1CNC(C)C.
What is the InChIKey of 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is AWKOVVTYSLNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-6-15(4,5)18-21(19,20)14-9-13(16)8-7-12(14)10-17-11(2)3/h7-9,11,17-18H,6,10H2,1-5H3.
What are the key properties of 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106031452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).