2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

C15H15Cl2NO3S — CID 1314394

IUPAC2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-21-12-7-8-13(15(17)14(12)16)22(19,20)18-10-9-11-5-3-2-4-6-11/h2-8,18H,9-10H2,1H3
InChIKeyJHHBHPIJOVYJPL-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.52
Rot. Bonds6

About 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1314394) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1314394
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-21-12-7-8-13(15(17)14(12)16)22(19,20)18-10-9-11-5-3-2-4-6-11/h2-8,18H,9-10H2,1H3
InChIKeyJHHBHPIJOVYJPL-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 1314394) is 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is JHHBHPIJOVYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-21-12-7-8-13(15(17)14(12)16)22(19,20)18-10-9-11-5-3-2-4-6-11/h2-8,18H,9-10H2,1H3.
What are the key properties of 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1314394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).