3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide

C13H20Cl2N2O3S — CID 106068484

IUPAC3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-3-4-9(8-20-2)17-21(18,19)12-6-5-11(14)10(7-16)13(12)15/h5-6,9,17H,3-4,7-8,16H2,1-2H3
InChIKeyRNZNHMBCBWABQV-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.55
Rot. Bonds8

About 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide

3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide (PubChem CID 106068484) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
PubChem CID106068484
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC Name3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1ccc(Cl)c(CN)c1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-3-4-9(8-20-2)17-21(18,19)12-6-5-11(14)10(7-16)13(12)15/h5-6,9,17H,3-4,7-8,16H2,1-2H3
InChIKeyRNZNHMBCBWABQV-UHFFFAOYSA-N
XLogP2.55
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,4-dichloro-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106079098
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
3-(aminomethyl)-2,4-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092715
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
3-(aminomethyl)-2,4-dichloro-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085335
3-(aminomethyl)-2,4-dichloro-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 106054870
3-(aminomethyl)-2,4-dichloro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077482
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
5-chloro-6-hydrazinyl-N-(1-methoxypentan-2-yl)pyridine-3-sulfonamide
CID 64608202
3-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327618

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide (CID 106068484) is 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide is CCCC(COC)NS(=O)(=O)c1ccc(Cl)c(CN)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The InChIKey is RNZNHMBCBWABQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O3S/c1-3-4-9(8-20-2)17-21(18,19)12-6-5-11(14)10(7-16)13(12)15/h5-6,9,17H,3-4,7-8,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide has a molecular weight of 355.29 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106068484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).