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

C13H21ClN2O3S — CID 120710742

IUPACN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H21ClN2O3S/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
InChIKeyBSZLSFHVWGCECF-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.00
Rot. Bonds7

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

N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 120710742) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID120710742
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H21ClN2O3S/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
InChIKeyBSZLSFHVWGCECF-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.00
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;hydrochloride
CID 120710741
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 119983283
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
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-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710993
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (CID 120710742) is N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is BSZLSFHVWGCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/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.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.00, 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 is sourced from PubChem (CID 120710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).