2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide

C14H22Cl2N2O2S — CID 106028399

IUPAC2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-9(2)5-10(3)18-21(19,20)14-6-11(8-17-4)12(15)7-13(14)16/h6-7,9-10,17-18H,5,8H2,1-4H3
InChIKeyUMFKNIHBXNERPN-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.43
Rot. Bonds7

About 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide

2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106028399) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID106028399
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC Name2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)CC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H22Cl2N2O2S/c1-9(2)5-10(3)18-21(19,20)14-6-11(8-17-4)12(15)7-13(14)16/h6-7,9-10,17-18H,5,8H2,1-4H3
InChIKeyUMFKNIHBXNERPN-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-5-(methylaminomethyl)benzenesulfonamide
CID 106083219
4-amino-2-chloro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372042
2,4-dichloro-5-(methylaminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080815
2,4-dichloro-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093164
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
CID 106074343
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2,5-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083377
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083225
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 106028399) is 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NC(C)CC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is UMFKNIHBXNERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-9(2)5-10(3)18-21(19,20)14-6-11(8-17-4)12(15)7-13(14)16/h6-7,9-10,17-18H,5,8H2,1-4H3.
What are the key properties of 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide?
2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106028399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).