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

C14H23ClN2O3S — CID 120710993

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)8-14(3,9-16)17-21(18,19)13-7-11(15)5-6-12(13)20-4/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyUFEKQXSPSCOTAK-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.39
Rot. Bonds7

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

N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 120710993) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
PubChem CID120710993
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)8-14(3,9-16)17-21(18,19)13-7-11(15)5-6-12(13)20-4/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyUFEKQXSPSCOTAK-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 82345223
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 119985029
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-2-methoxybenzamide
CID 119984979
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 115310018
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methoxybenzenesulfonamide
CID 115309909
CID 70601990
CID 70601990
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
methyl 2-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-6-fluorobenzoate
CID 119985420
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide (CID 120710993) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is UFEKQXSPSCOTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-10(2)8-14(3,9-16)17-21(18,19)13-7-11(15)5-6-12(13)20-4/h5-7,10,17H,8-9,16H2,1-4H3.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 120710993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).