4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide

C13H21FN2O5S2 — CID 113066025

IUPAC4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCOCCN(CCNS(=O)(=O)c1ccc(F)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C13H21FN2O5S2/c1-11-10-12(4-5-13(11)14)23(19,20)15-6-7-16(8-9-21-2)22(3,17)18/h4-5,10,15H,6-9H2,1-3H3
InChIKeyWTWRSYFANBEAGH-UHFFFAOYSA-N
MW368.45 g/mol
LogP0.32
Rot. Bonds9

About 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide

4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide (PubChem CID 113066025) has the molecular formula C13H21FN2O5S2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
PubChem CID113066025
Molecular FormulaC13H21FN2O5S2
Molecular Weight368.45 g/mol
Exact Mass368.09
IUPAC Name4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
SMILESCOCCN(CCNS(=O)(=O)c1ccc(F)c(C)c1)S(C)(=O)=O
InChIInChI=1S/C13H21FN2O5S2/c1-11-10-12(4-5-13(11)14)23(19,20)15-6-7-16(8-9-21-2)22(3,17)18/h4-5,10,15H,6-9H2,1-3H3
InChIKeyWTWRSYFANBEAGH-UHFFFAOYSA-N
XLogP0.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066039
4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066109
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066106
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide (CID 113066025) is 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide is COCCN(CCNS(=O)(=O)c1ccc(F)c(C)c1)S(C)(=O)=O.
What is the InChIKey of 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is WTWRSYFANBEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O5S2/c1-11-10-12(4-5-13(11)14)23(19,20)15-6-7-16(8-9-21-2)22(3,17)18/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 368.45 g/mol, XLogP of 0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113066025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).