N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride

C14H24BrClN2O2S — CID 119992368

IUPACN-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)c(Br)c1.Cl
InChIInChI=1S/C14H23BrN2O2S.ClH/c1-10(2)13(16)7-8-17(4)20(18,19)14-6-5-11(3)9-12(14)15;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H
InChIKeyFHDSMSRDNRNMMG-UHFFFAOYSA-N
MW399.78 g/mol
LogP3.17
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119992368) has the molecular formula C14H24BrClN2O2S and a molecular weight of 399.78 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119992368
Molecular FormulaC14H24BrClN2O2S
Molecular Weight399.78 g/mol
Exact Mass398.04
IUPAC NameN-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)c(Br)c1.Cl
InChIInChI=1S/C14H23BrN2O2S.ClH/c1-10(2)13(16)7-8-17(4)20(18,19)14-6-5-11(3)9-12(14)15;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H
InChIKeyFHDSMSRDNRNMMG-UHFFFAOYSA-N
XLogP3.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119991959
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
N-(3-amino-4-methylpentyl)-4-bromo-N-methylbenzenesulfonamide;hydrochloride
CID 119992344
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-bromo-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 55029369
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
N-(3-amino-4-methylpentyl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 119992402
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
CID 115317679
N-(3-amino-4-methylpentyl)-N,3-dimethylquinoline-8-sulfonamide
CID 119992175

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride (CID 119992368) is N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)CCC(N)C(C)C)c(Br)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is FHDSMSRDNRNMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S.ClH/c1-10(2)13(16)7-8-17(4)20(18,19)14-6-5-11(3)9-12(14)15;/h5-6,9-10,13H,7-8,16H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 399.78 g/mol, XLogP of 3.17, 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-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).