2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide

C11H15ClN2O4S — CID 21291495

IUPAC2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCOc1cc(C(=O)CS(=O)(=O)N(C)C)c(N)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-14(2)19(16,17)6-10(15)7-4-11(18-3)8(12)5-9(7)13/h4-5H,6,13H2,1-3H3
InChIKeyQWPAOVXVQJOCNO-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.00
Rot. Bonds5

About 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide

2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide (PubChem CID 21291495) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide
PubChem CID21291495
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide
SMILESCOc1cc(C(=O)CS(=O)(=O)N(C)C)c(N)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c1-14(2)19(16,17)6-10(15)7-4-11(18-3)8(12)5-9(7)13/h4-5H,6,13H2,1-3H3
InChIKeyQWPAOVXVQJOCNO-UHFFFAOYSA-N
XLogP1.00
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-chloro-5-methoxyphenyl)-2-phenylethanone
CID 83987969
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387
(2-amino-4-chloro-5-methoxyphenyl)methanol
CID 130139409
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-amino-4-chloro-5-hydroxyphenyl)-2-chloroethanone
CID 171022257
methyl 2-(2-amino-4-chloro-5-methoxyphenoxy)acetate
CID 89053253
2-chloro-1-(5-chloro-2,4-dimethoxyphenyl)ethanone
CID 82050544
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide?
The IUPAC name of 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide (CID 21291495) is 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide is COc1cc(C(=O)CS(=O)(=O)N(C)C)c(N)cc1Cl.
What is the InChIKey of 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide?
The InChIKey is QWPAOVXVQJOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-14(2)19(16,17)6-10(15)7-4-11(18-3)8(12)5-9(7)13/h4-5H,6,13H2,1-3H3.
What are the key properties of 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide?
2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide has a molecular weight of 306.77 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloro-5-methoxyphenyl)-N,N-dimethyl-2-oxoethanesulfonamide is sourced from PubChem (CID 21291495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).