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

C15H25FN2O2S — CID 102920741

IUPAC5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(F)ccc1CNC(C)C
InChIInChI=1S/C15H25FN2O2S/c1-5-12(4)9-18-21(19,20)15-8-14(16)7-6-13(15)10-17-11(2)3/h6-8,11-12,17-18H,5,9-10H2,1-4H3
InChIKeyUXOQUIHYRWNLLP-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.65
Rot. Bonds8

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

5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 102920741) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID102920741
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1cc(F)ccc1CNC(C)C
InChIInChI=1S/C15H25FN2O2S/c1-5-12(4)9-18-21(19,20)15-8-14(16)7-6-13(15)10-17-11(2)3/h6-8,11-12,17-18H,5,9-10H2,1-4H3
InChIKeyUXOQUIHYRWNLLP-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031452
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409231
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 102920286
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 102920741) is 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is CCC(C)CNS(=O)(=O)c1cc(F)ccc1CNC(C)C.
What is the InChIKey of 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is UXOQUIHYRWNLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-12(4)9-18-21(19,20)15-8-14(16)7-6-13(15)10-17-11(2)3/h6-8,11-12,17-18H,5,9-10H2,1-4H3.
What are the key properties of 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide?
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 102920741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).