2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide

C15H15Cl2NO3S — CID 100506731

IUPAC2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-3-18(12-5-4-6-13(10-12)21-2)22(19,20)15-9-11(16)7-8-14(15)17/h4-10H,3H2,1-2H3
InChIKeyNVWFNNGERUCDCP-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.22
Rot. Bonds5

About 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide

2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 100506731) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID100506731
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-3-18(12-5-4-6-13(10-12)21-2)22(19,20)15-9-11(16)7-8-14(15)17/h4-10H,3H2,1-2H3
InChIKeyNVWFNNGERUCDCP-UHFFFAOYSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)-N-ethylbenzenesulfonamide
CID 100507622
N-(4-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100506692
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
methyl 2-(N-(2,5-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894710
N-(2-bromophenyl)-2,5-dichloro-N-ethylbenzenesulfonamide
CID 100507191
N-ethyl-N-(3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 100525748
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733551
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide (CID 100506731) is 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide is CCN(c1cccc(OC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is NVWFNNGERUCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-3-18(12-5-4-6-13(10-12)21-2)22(19,20)15-9-11(16)7-8-14(15)17/h4-10H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide?
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 100506731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).