N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide

C13H21FN2O4S2 — CID 113065646

IUPACN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H21FN2O4S2/c1-4-11(2)16(21(3,17)18)10-9-15-22(19,20)13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyAPNIBHCLGWWPOH-UHFFFAOYSA-N
MW352.45 g/mol
LogP1.16
Rot. Bonds8

About N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide (PubChem CID 113065646) has the molecular formula C13H21FN2O4S2 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
PubChem CID113065646
Molecular FormulaC13H21FN2O4S2
Molecular Weight352.45 g/mol
Exact Mass352.09
IUPAC NameN-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
SMILESCCC(C)N(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H21FN2O4S2/c1-4-11(2)16(21(3,17)18)10-9-15-22(19,20)13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyAPNIBHCLGWWPOH-UHFFFAOYSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065032
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 113065672
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065161
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113065655
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide (CID 113065646) is N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide is CCC(C)N(CCNS(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is APNIBHCLGWWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O4S2/c1-4-11(2)16(21(3,17)18)10-9-15-22(19,20)13-7-5-12(14)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide?
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 352.45 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 113065646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).