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

C11H17ClN2O2S — CID 107091204

IUPAC3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(3)17(15,16)10-6-5-9(8-13-2)11(12)7-10/h5-7,13H,4,8H2,1-3H3
InChIKeyKCMZHUSVEGUPFE-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.70
Rot. Bonds5

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

3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107091204) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107091204
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1ccc(CNC)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(3)17(15,16)10-6-5-9(8-13-2)11(12)7-10/h5-7,13H,4,8H2,1-3H3
InChIKeyKCMZHUSVEGUPFE-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 107091254
3-chloro-N-methyl-4-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 107091383
3-chloro-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 107091514
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-N-methyl-4-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 107091708
3-chloro-4-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107091282
N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 60824654
4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81457684
3-chloro-4-(methylaminomethyl)-N-propyl-N-prop-2-ynylbenzenesulfonamide
CID 107091595
3-chloro-N,N-dimethyl-4-(propylaminomethyl)benzenesulfonamide
CID 107091188
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-chloro-4-[(cyclopropylamino)methyl]-N,N-diethylbenzenesulfonamide
CID 107091147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 107091204) is 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CCN(C)S(=O)(=O)c1ccc(CNC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KCMZHUSVEGUPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-14(3)17(15,16)10-6-5-9(8-13-2)11(12)7-10/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).