N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide

C10H15ClN2O3S — CID 107465946

IUPACN-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O3S/c1-13(17(14,15)6-5-16-2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyIEPISUIXPRZTRI-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.33
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide

N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 107465946) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
PubChem CID107465946
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC NameN-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C10H15ClN2O3S/c1-13(17(14,15)6-5-16-2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyIEPISUIXPRZTRI-UHFFFAOYSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
CID 107465899
N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 107465876
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
5-chloro-2-(3-methoxypropylsulfonyl)aniline
CID 81174746
4-chloro-2-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 130512868
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930
N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
CID 107465906
N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
CID 107465842
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide (CID 107465946) is N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide?
The InChIKey is IEPISUIXPRZTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-13(17(14,15)6-5-16-2)10-7-8(11)3-4-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide?
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 107465946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).