N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide

C14H14ClNO3S — CID 967894

IUPACN-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-6-7-13(19-2)14(8-10)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3
InChIKeyULWBCRGTGPSFDL-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.46
Rot. Bonds4

About N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 967894) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID967894
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClNO3S/c1-10-6-7-13(19-2)14(8-10)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3
InChIKeyULWBCRGTGPSFDL-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide (CID 967894) is N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is ULWBCRGTGPSFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-10-6-7-13(19-2)14(8-10)20(17,18)16-12-5-3-4-11(15)9-12/h3-9,16H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 967894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).