3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

C15H15Cl2NO3S — CID 3870405

IUPAC3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO3S/c1-10(11-4-3-5-12(8-11)21-2)18-22(19,20)13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyFSOLQGWUSBNHDL-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.04
Rot. Bonds5

About 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 3870405) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID3870405
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO3S/c1-10(11-4-3-5-12(8-11)21-2)18-22(19,20)13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3
InChIKeyFSOLQGWUSBNHDL-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 25044284
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560380
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 3870405) is 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is FSOLQGWUSBNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-10(11-4-3-5-12(8-11)21-2)18-22(19,20)13-6-7-14(16)15(17)9-13/h3-10,18H,1-2H3.
What are the key properties of 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3870405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).