N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide

C14H13Cl2NO3S — CID 900826

IUPACN-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-6-7-12(20-2)13(8-9)21(18,19)17-11-5-3-4-10(15)14(11)16/h3-8,17H,1-2H3
InChIKeyZWDLJJWEPACWBK-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.11
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 900826) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID900826
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-6-7-12(20-2)13(8-9)21(18,19)17-11-5-3-4-10(15)14(11)16/h3-8,17H,1-2H3
InChIKeyZWDLJJWEPACWBK-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 900826) is N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is ZWDLJJWEPACWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-9-6-7-12(20-2)13(8-9)21(18,19)17-11-5-3-4-10(15)14(11)16/h3-8,17H,1-2H3.
What are the key properties of N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 900826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).