3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

C14H22Cl2N2O2S — CID 79472645

IUPAC3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)13-7-6-12(15)11(8-17)14(13)16/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyKIOAQLSHPCDSOL-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.51
Rot. Bonds7

About 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79472645) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79472645
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)13-7-6-12(15)11(8-17)14(13)16/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyKIOAQLSHPCDSOL-UHFFFAOYSA-N
XLogP3.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471583
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79482199
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)thiophene-3-sulfonamide
CID 79469775
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471703
2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79471473
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79472645) is 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1ccc(Cl)c(CN)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is KIOAQLSHPCDSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-4-10(3)9-18(5-2)21(19,20)13-7-6-12(15)11(8-17)14(13)16/h6-7,10H,4-5,8-9,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79472645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).