N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide

C10H15ClN2O3S — CID 113438985

IUPACN-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C10H15ClN2O3S/c1-7-5-9(12)8(11)6-10(7)13-17(14,15)4-3-16-2/h5-6,13H,3-4,12H2,1-2H3
InChIKeyOVVPARUUCJWTCH-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.62
Rot. Bonds5

About N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide

N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide (PubChem CID 113438985) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
PubChem CID113438985
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC NameN-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(Cl)c(N)cc1C
InChIInChI=1S/C10H15ClN2O3S/c1-7-5-9(12)8(11)6-10(7)13-17(14,15)4-3-16-2/h5-6,13H,3-4,12H2,1-2H3
InChIKeyOVVPARUUCJWTCH-UHFFFAOYSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(4-amino-5-chloro-2-methylphenyl)sulfamoyl]propanoate
CID 104667743
1-amino-2-chloro-5-methyl-4-(sulfamoylamino)benzene
CID 114958746
N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
N-(4-chloro-2-methylphenyl)-2-(2-methoxyethoxy)ethanesulfonamide
CID 110420975
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyethanesulfonamide
CID 55010119
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
CID 55010075
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide (CID 113438985) is N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cc(Cl)c(N)cc1C.
What is the InChIKey of N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide?
The InChIKey is OVVPARUUCJWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-7-5-9(12)8(11)6-10(7)13-17(14,15)4-3-16-2/h5-6,13H,3-4,12H2,1-2H3.
What are the key properties of N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide?
N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-chloro-2-methylphenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 113438985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).