2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide

C16H19FN2O4S2 — CID 86839558

IUPAC2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c1
InChIInChI=1S/C16H19FN2O4S2/c1-11(2)12-5-4-6-13(9-12)19-25(22,23)16-8-7-14(10-15(16)17)18-24(3,20)21/h4-11,18-19H,1-3H3
InChIKeyGXYBPHDOVLPMHY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.12
Rot. Bonds6

About 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide

2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 86839558) has the molecular formula C16H19FN2O4S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
PubChem CID86839558
Molecular FormulaC16H19FN2O4S2
Molecular Weight386.47 g/mol
Exact Mass386.08
IUPAC Name2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1cccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c1
InChIInChI=1S/C16H19FN2O4S2/c1-11(2)12-5-4-6-13(9-12)19-25(22,23)16-8-7-14(10-15(16)17)18-24(3,20)21/h4-11,18-19H,1-3H3
InChIKeyGXYBPHDOVLPMHY-UHFFFAOYSA-N
XLogP3.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
4-amino-2-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
2-amino-N-(3-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62144250
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 60532632
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide (CID 86839558) is 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1cccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)c1.
What is the InChIKey of 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is GXYBPHDOVLPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S2/c1-11(2)12-5-4-6-13(9-12)19-25(22,23)16-8-7-14(10-15(16)17)18-24(3,20)21/h4-11,18-19H,1-3H3.
What are the key properties of 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide?
2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methanesulfonamido)-N-(3-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 86839558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).