3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C15H15Cl2NO3S — CID 3731467

IUPAC3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO3S/c1-21-12-4-2-3-11(9-12)7-8-18-22(19,20)13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyLRXBUTNPTQIJQW-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.52
Rot. Bonds6

About 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 3731467) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID3731467
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO3S/c1-21-12-4-2-3-11(9-12)7-8-18-22(19,20)13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyLRXBUTNPTQIJQW-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

5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
3-(benzenesulfonyl)-N-[2-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 11978291

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 3731467) is 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is LRXBUTNPTQIJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-21-12-4-2-3-11(9-12)7-8-18-22(19,20)13-5-6-14(16)15(17)10-13/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]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 3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3731467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).