4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide

C11H16ClFN2O2S — CID 81457684

IUPAC4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(F)c(Cl)c(CNC)c1
InChIInChI=1S/C11H16ClFN2O2S/c1-4-15(3)18(16,17)9-5-8(7-14-2)11(12)10(13)6-9/h5-6,14H,4,7H2,1-3H3
InChIKeyRQCRFYYJSUHQOL-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.84
Rot. Bonds5

About 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide

4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 81457684) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID81457684
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(F)c(Cl)c(CNC)c1
InChIInChI=1S/C11H16ClFN2O2S/c1-4-15(3)18(16,17)9-5-8(7-14-2)11(12)10(13)6-9/h5-6,14H,4,7H2,1-3H3
InChIKeyRQCRFYYJSUHQOL-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-3-fluoro-5-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 81457009
3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 107091204
4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 115409189
4-chloro-3-fluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81450479
4-chloro-N-(2,2-dimethylbutyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466084
4-chloro-3-fluoro-5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81461114
3-(aminomethyl)-4-chloro-N-[3-(dimethylamino)propyl]-5-fluoro-N-methylbenzenesulfonamide
CID 81450859
3-(aminomethyl)-4-chloro-5-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 81457692
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081584
1-[2-chloro-3-fluoro-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 81457130
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81450686

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 81457684) is 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide is CCN(C)S(=O)(=O)c1cc(F)c(Cl)c(CNC)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is RQCRFYYJSUHQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-4-15(3)18(16,17)9-5-8(7-14-2)11(12)10(13)6-9/h5-6,14H,4,7H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide?
4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81457684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).