2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C10H15FN2O2S2 — CID 112656609

IUPAC2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H15FN2O2S2/c1-13(6-7-16-2)17(14,15)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3
InChIKeyQXHBDMHSHVLHIT-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide

2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 112656609) has the molecular formula C10H15FN2O2S2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID112656609
Molecular FormulaC10H15FN2O2S2
Molecular Weight278.37 g/mol
Exact Mass278.06
IUPAC Name2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCSCCN(C)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C10H15FN2O2S2/c1-13(6-7-16-2)17(14,15)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3
InChIKeyQXHBDMHSHVLHIT-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62058300
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
3-amino-N-methyl-N-(2-methylsulfanylethyl)-2-nitrobenzenesulfonamide
CID 112675350
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
2-amino-3-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 62057282
2-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667071
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 112656609) is 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is CSCCN(C)S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is QXHBDMHSHVLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S2/c1-13(6-7-16-2)17(14,15)9-5-3-4-8(11)10(9)12/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 278.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 112656609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).