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

C14H13Cl2NO3S — CID 900828

IUPACN-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-8-10(15)4-5-11(12)16/h3-8,17H,1-2H3
InChIKeyCPWCFFCSYBULII-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.11
Rot. Bonds4

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

N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 900828) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID900828
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-8-10(15)4-5-11(12)16/h3-8,17H,1-2H3
InChIKeyCPWCFFCSYBULII-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

Analyze N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 900828) is N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is CPWCFFCSYBULII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-9-3-6-13(20-2)14(7-9)21(18,19)17-12-8-10(15)4-5-11(12)16/h3-8,17H,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2,5-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-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 900828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).