5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

C11H16F2N2O2S2 — CID 112656684

IUPAC5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O2S2/c1-7(6-18-3)15(2)19(16,17)10-5-8(14)4-9(12)11(10)13/h4-5,7H,6,14H2,1-3H3
InChIKeyLICJUXLZEWKBSM-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.92
Rot. Bonds5

About 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide

5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 112656684) has the molecular formula C11H16F2N2O2S2 and a molecular weight of 310.39 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID112656684
Molecular FormulaC11H16F2N2O2S2
Molecular Weight310.39 g/mol
Exact Mass310.06
IUPAC Name5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O2S2/c1-7(6-18-3)15(2)19(16,17)10-5-8(14)4-9(12)11(10)13/h4-5,7H,6,14H2,1-3H3
InChIKeyLICJUXLZEWKBSM-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.92
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

3,4-difluoro-5-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]benzoic acid
CID 104656561
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
5-(aminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112667435
5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65020571
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
5-amino-3-chloro-2-fluoro-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43571746
5-amino-3-chloro-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 61112943
2,4-difluoro-N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988559
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551
4-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 112656690
5-amino-N-(cyclopropylmethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 65021026

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide (CID 112656684) is 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is CSCC(C)N(C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is LICJUXLZEWKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S2/c1-7(6-18-3)15(2)19(16,17)10-5-8(14)4-9(12)11(10)13/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide?
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 310.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 112656684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).