N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide

C9H10Cl2N2O4S — CID 22719099

IUPACN-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(NS(C)(=O)=O)c(O)c1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-4(14)12-8-5(10)3-6(9(15)7(8)11)13-18(2,16)17/h3,13,15H,1-2H3,(H,12,14)
InChIKeyIACBZRWAKBIIMY-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.03
Rot. Bonds3

About N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide

N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide (PubChem CID 22719099) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
PubChem CID22719099
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC NameN-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(NS(C)(=O)=O)c(O)c1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-4(14)12-8-5(10)3-6(9(15)7(8)11)13-18(2,16)17/h3,13,15H,1-2H3,(H,12,14)
InChIKeyIACBZRWAKBIIMY-UHFFFAOYSA-N
XLogP2.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide (CID 22719099) is N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide is CC(=O)Nc1c(Cl)cc(NS(C)(=O)=O)c(O)c1Cl.
What is the InChIKey of N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide?
The InChIKey is IACBZRWAKBIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c1-4(14)12-8-5(10)3-6(9(15)7(8)11)13-18(2,16)17/h3,13,15H,1-2H3,(H,12,14).
What are the key properties of N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide?
N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide has a molecular weight of 313.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 22719099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).