N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

C13H22Cl2N2O3S — CID 120710741

IUPACN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C13H21ClN2O3S.ClH/c1-9(2)6-11(8-15)16-20(17,18)13-7-10(14)4-5-12(13)19-3;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H
InChIKeySZZXQLIRNXYNHP-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.42
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120710741) has the molecular formula C13H22Cl2N2O3S and a molecular weight of 357.30 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID120710741
Molecular FormulaC13H22Cl2N2O3S
Molecular Weight357.30 g/mol
Exact Mass356.07
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C.Cl
InChIInChI=1S/C13H21ClN2O3S.ClH/c1-9(2)6-11(8-15)16-20(17,18)13-7-10(14)4-5-12(13)19-3;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H
InChIKeySZZXQLIRNXYNHP-UHFFFAOYSA-N
XLogP2.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119983487
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119983120
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride (CID 120710741) is N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is SZZXQLIRNXYNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S.ClH/c1-9(2)6-11(8-15)16-20(17,18)13-7-10(14)4-5-12(13)19-3;/h4-5,7,9,11,16H,6,8,15H2,1-3H3;1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 357.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120710741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).