N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride

C13H21Cl3N2O2S — CID 119991964

IUPACN-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C13H20Cl2N2O2S.ClH/c1-9(2)11(16)7-8-17(3)20(18,19)12-6-4-5-10(14)13(12)15;/h4-6,9,11H,7-8,16H2,1-3H3;1H
InChIKeyHJRMPHYEIIWVRX-UHFFFAOYSA-N
MW375.75 g/mol
LogP3.41
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119991964) has the molecular formula C13H21Cl3N2O2S and a molecular weight of 375.75 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119991964
Molecular FormulaC13H21Cl3N2O2S
Molecular Weight375.75 g/mol
Exact Mass374.04
IUPAC NameN-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C13H20Cl2N2O2S.ClH/c1-9(2)11(16)7-8-17(3)20(18,19)12-6-4-5-10(14)13(12)15;/h4-6,9,11H,7-8,16H2,1-3H3;1H
InChIKeyHJRMPHYEIIWVRX-UHFFFAOYSA-N
XLogP3.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
N-(3-amino-4-methylpentyl)-1-(2-chlorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992025
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide
CID 115317576
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
CID 115317679
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
CID 119992175
N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride (CID 119991964) is N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride is CC(C)C(N)CCN(C)S(=O)(=O)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is HJRMPHYEIIWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S.ClH/c1-9(2)11(16)7-8-17(3)20(18,19)12-6-4-5-10(14)13(12)15;/h4-6,9,11H,7-8,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 375.75 g/mol, XLogP of 3.41, 6 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)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).