2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide

C14H23ClN2O2S — CID 106018832

IUPAC2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)ccc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2O2S/c1-5-13(10(2)3)17-20(18,19)14-8-11(9-16-4)6-7-12(14)15/h6-8,10,13,16-17H,5,9H2,1-4H3
InChIKeyVPGJKHHGCUSAIM-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.77
Rot. Bonds7

About 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide

2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106018832) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID106018832
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(CNC)ccc1Cl)C(C)C
InChIInChI=1S/C14H23ClN2O2S/c1-5-13(10(2)3)17-20(18,19)14-8-11(9-16-4)6-7-12(14)15/h6-8,10,13,16-17H,5,9H2,1-4H3
InChIKeyVPGJKHHGCUSAIM-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
2-chloro-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079618
2-chloro-N-[1-(dimethylamino)propan-2-yl]-5-(methylaminomethyl)benzenesulfonamide
CID 106074343
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
2-chloro-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)benzenesulfonamide
CID 106029837
2-chloro-5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055614
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018965
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
2-chloro-5-(methylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085332
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084371

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 106018832) is 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1cc(CNC)ccc1Cl)C(C)C.
What is the InChIKey of 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is VPGJKHHGCUSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-5-13(10(2)3)17-20(18,19)14-8-11(9-16-4)6-7-12(14)15/h6-8,10,13,16-17H,5,9H2,1-4H3.
What are the key properties of 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106018832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).