2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C14H17FN2O2S2 — CID 61140693

IUPAC2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C14H17FN2O2S2/c1-9-4-6-13(20-9)10(2)17(3)21(18,19)14-7-5-11(15)8-12(14)16/h4-8,10H,16H2,1-3H3
InChIKeyIRZJXQZICXIUJX-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.16
Rot. Bonds4

About 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 61140693) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID61140693
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C14H17FN2O2S2/c1-9-4-6-13(20-9)10(2)17(3)21(18,19)14-7-5-11(15)8-12(14)16/h4-8,10H,16H2,1-3H3
InChIKeyIRZJXQZICXIUJX-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 61140693) is 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccc(C(C)N(C)S(=O)(=O)c2ccc(F)cc2N)s1.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is IRZJXQZICXIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-9-4-6-13(20-9)10(2)17(3)21(18,19)14-7-5-11(15)8-12(14)16/h4-8,10H,16H2,1-3H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61140693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).