3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide

C11H18FN3O4S2 — CID 106333627

IUPAC3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1F
InChIInChI=1S/C11H18FN3O4S2/c1-8-10(12)6-9(7-11(8)13)21(18,19)14-4-5-20(16,17)15(2)3/h6-7,14H,4-5,13H2,1-3H3
InChIKeyCPQGYKYFQUEBGD-UHFFFAOYSA-N
MW339.41 g/mol
LogP-0.11
Rot. Bonds6

About 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide (PubChem CID 106333627) has the molecular formula C11H18FN3O4S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
PubChem CID106333627
Molecular FormulaC11H18FN3O4S2
Molecular Weight339.41 g/mol
Exact Mass339.07
IUPAC Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1F
InChIInChI=1S/C11H18FN3O4S2/c1-8-10(12)6-9(7-11(8)13)21(18,19)14-4-5-20(16,17)15(2)3/h6-7,14H,4-5,13H2,1-3H3
InChIKeyCPQGYKYFQUEBGD-UHFFFAOYSA-N
XLogP-0.11
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3-amino-5-fluoro-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159871
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
3-amino-5-fluoro-N-hex-5-ynyl-4-methylbenzenesulfonamide
CID 106208467
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide (CID 106333627) is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1F.
What is the InChIKey of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide?
The InChIKey is CPQGYKYFQUEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O4S2/c1-8-10(12)6-9(7-11(8)13)21(18,19)14-4-5-20(16,17)15(2)3/h6-7,14H,4-5,13H2,1-3H3.
What are the key properties of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide?
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide is sourced from PubChem (CID 106333627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).