N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119991959

IUPACN-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-11(2)14(15)9-10-16(4)19(17,18)13-7-5-12(3)6-8-13;/h5-8,11,14H,9-10,15H2,1-4H3;1H
InChIKeyOMUUWEZDQSTKNG-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.41
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119991959) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119991959
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-11(2)14(15)9-10-16(4)19(17,18)13-7-5-12(3)6-8-13;/h5-8,11,14H,9-10,15H2,1-4H3;1H
InChIKeyOMUUWEZDQSTKNG-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
N-(3-amino-4-methylpentyl)-4-iodo-N-methylbenzenesulfonamide
CID 115317712
ethyl 4-[(3-amino-4-methylpentyl)-methylsulfamoyl]benzoate;hydrochloride
CID 119992233
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
4-[(3-amino-4-methylpentyl)-methylsulfamoyl]-N,N-diethylbenzamide
CID 119992307
N-(3-amino-4-methylpentyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide;hydrochloride
CID 119992308
N-(3-amino-4-methylpentyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119992395
N-(3-amino-4-methylpentyl)-4-cyano-N,3-dimethylbenzenesulfonamide
CID 106920625
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide;hydrochloride
CID 119992236

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride (CID 119991959) is N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is OMUUWEZDQSTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-11(2)14(15)9-10-16(4)19(17,18)13-7-5-12(3)6-8-13;/h5-8,11,14H,9-10,15H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.41, 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)-N,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).