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

C13H20Cl2N2O3S — CID 119983283

IUPACN-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-8(2)4-9(7-16)17-21(18,19)13-6-10(14)12(20-3)5-11(13)15/h5-6,8-9,17H,4,7,16H2,1-3H3
InChIKeyULGIUMSFXULPTA-UHFFFAOYSA-N
MW355.29 g/mol
LogP2.65
Rot. Bonds7

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

N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide (PubChem CID 119983283) has the molecular formula C13H20Cl2N2O3S and a molecular weight of 355.29 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
PubChem CID119983283
Molecular FormulaC13H20Cl2N2O3S
Molecular Weight355.29 g/mol
Exact Mass354.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl
InChIInChI=1S/C13H20Cl2N2O3S/c1-8(2)4-9(7-16)17-21(18,19)13-6-10(14)12(20-3)5-11(13)15/h5-6,8-9,17H,4,7,16H2,1-3H3
InChIKeyULGIUMSFXULPTA-UHFFFAOYSA-N
XLogP2.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 52.65
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-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2,4-dimethoxybenzenesulfonamide
CID 119983487
N-(1-amino-4-methylpentan-2-yl)-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120710662
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119983120
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 124682011
N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
CID 119983105
N-(1-amino-4-methylpentan-2-yl)-3-methoxythiophene-2-sulfonamide
CID 119983311
N-(1-amino-4-methylpentan-2-yl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089008

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide (CID 119983283) is N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)NC(CN)CC(C)C)cc1Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The InChIKey is ULGIUMSFXULPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O3S/c1-8(2)4-9(7-16)17-21(18,19)13-6-10(14)12(20-3)5-11(13)15/h5-6,8-9,17H,4,7,16H2,1-3H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-2,5-dichloro-4-methoxybenzenesulfonamide has a molecular weight of 355.29 g/mol, XLogP of 2.65, 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)-2,5-dichloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 119983283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).