2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide

C11H18FN3O2S — CID 55226364

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyDPMNSKLIHHNECS-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.59
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide

2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide (PubChem CID 55226364) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
PubChem CID55226364
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H18FN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3
InChIKeyDPMNSKLIHHNECS-UHFFFAOYSA-N
XLogP0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.59
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-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
methyl 3-[(2-amino-5-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140729
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
2-amino-5-fluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113842
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide (CID 55226364) is 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide?
The InChIKey is DPMNSKLIHHNECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(12)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide?
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 55226364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).