4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine

C12H17ClFNO2S — CID 64676319

IUPAC4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO2S/c1-3-15-9(2)6-7-18(16,17)10-4-5-12(14)11(13)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyDIGLVUJKDWIWLX-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.64
Rot. Bonds6

About 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine

4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine (PubChem CID 64676319) has the molecular formula C12H17ClFNO2S and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
PubChem CID64676319
Molecular FormulaC12H17ClFNO2S
Molecular Weight293.79 g/mol
Exact Mass293.07
IUPAC Name4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine
SMILESCCNC(C)CCS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO2S/c1-3-15-9(2)6-7-18(16,17)10-4-5-12(14)11(13)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyDIGLVUJKDWIWLX-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpentan-2-amine
CID 64640593
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
4-(2-azidoethylsulfonyl)-2-chloro-1-fluorobenzene
CID 61396929
1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
(2R)-N-[2-(4-chlorophenyl)sulfonylethyl]butan-2-amine
CID 7004618
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpentan-2-amine
CID 64645667
6-(4-chlorophenyl)sulfonyl-N-ethylhexan-3-amine
CID 106807693
5-(2,6-dichlorophenyl)sulfonyl-N-ethylpentan-2-amine
CID 64676520
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine (CID 64676319) is 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine is CCNC(C)CCS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine?
The InChIKey is DIGLVUJKDWIWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2S/c1-3-15-9(2)6-7-18(16,17)10-4-5-12(14)11(13)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine?
4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine has a molecular weight of 293.79 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)sulfonyl-N-ethylbutan-2-amine is sourced from PubChem (CID 64676319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).