N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride

C14H24Cl2N2O2S — CID 119992025

IUPACN-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H23ClN2O2S.ClH/c1-11(2)14(16)8-9-17(3)20(18,19)10-12-6-4-5-7-13(12)15;/h4-7,11,14H,8-10,16H2,1-3H3;1H
InChIKeyXTFKMDFPDGNAQM-UHFFFAOYSA-N
MW355.33 g/mol
LogP2.90
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride (PubChem CID 119992025) has the molecular formula C14H24Cl2N2O2S and a molecular weight of 355.33 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
PubChem CID119992025
Molecular FormulaC14H24Cl2N2O2S
Molecular Weight355.33 g/mol
Exact Mass354.09
IUPAC NameN-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H23ClN2O2S.ClH/c1-11(2)14(16)8-9-17(3)20(18,19)10-12-6-4-5-7-13(12)15;/h4-7,11,14H,8-10,16H2,1-3H3;1H
InChIKeyXTFKMDFPDGNAQM-UHFFFAOYSA-N
XLogP2.90
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
N-(3-amino-4-methylpentyl)-2-ethyl-N-methylpyrazole-3-sulfonamide;hydrochloride
CID 120712297
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
1-(2-chlorophenyl)-N,N-bis(2-cyanoethyl)methanesulfonamide
CID 17257633
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride (CID 119992025) is N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)Cc1ccccc1Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is XTFKMDFPDGNAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S.ClH/c1-11(2)14(16)8-9-17(3)20(18,19)10-12-6-4-5-7-13(12)15;/h4-7,11,14H,8-10,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 355.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119992025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).