N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide

C10H15FN2O4S2 — CID 47064903

IUPACN-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCNS(C)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-8-3-4-9(7-10(8)11)13-19(16,17)6-5-12-18(2,14)15/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyPDRBFRGYQKAGCX-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.43
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide

N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide (PubChem CID 47064903) has the molecular formula C10H15FN2O4S2 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide
PubChem CID47064903
Molecular FormulaC10H15FN2O4S2
Molecular Weight310.37 g/mol
Exact Mass310.05
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCNS(C)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-8-3-4-9(7-10(8)11)13-19(16,17)6-5-12-18(2,14)15/h3-4,7,12-13H,5-6H2,1-2H3
InChIKeyPDRBFRGYQKAGCX-UHFFFAOYSA-N
XLogP0.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 107491506
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
1-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178998
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
1-butan-2-yl-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine
CID 110944094
1-(2-ethylbutyl)-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine
CID 111890601
1-(cyclopropylmethyl)-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-methylguanidine;hydroiodide
CID 111867717
3-fluoro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 39634777
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
1-ethyl-3-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110977776
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide (CID 47064903) is N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide is Cc1ccc(NS(=O)(=O)CCNS(C)(=O)=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide?
The InChIKey is PDRBFRGYQKAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2/c1-8-3-4-9(7-10(8)11)13-19(16,17)6-5-12-18(2,14)15/h3-4,7,12-13H,5-6H2,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide?
N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(methanesulfonamido)ethanesulfonamide is sourced from PubChem (CID 47064903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).