4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide

C16H17Cl2NO2S — CID 19680922

IUPAC4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccc(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11-9-16(12(2)8-15(11)18)22(20,21)19-7-6-13-4-3-5-14(17)10-13/h3-5,8-10,19H,6-7H2,1-2H3
InChIKeySBTFYCNAUZWNMA-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 19680922) has the molecular formula C16H17Cl2NO2S and a molecular weight of 358.29 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID19680922
Molecular FormulaC16H17Cl2NO2S
Molecular Weight358.29 g/mol
Exact Mass357.04
IUPAC Name4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccc(Cl)c2)c(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO2S/c1-11-9-16(12(2)8-15(11)18)22(20,21)19-7-6-13-4-3-5-14(17)10-13/h3-5,8-10,19H,6-7H2,1-2H3
InChIKeySBTFYCNAUZWNMA-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
N-[2-(3-chlorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26529237
4-chloro-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethylbenzenesulfonamide
CID 22772098
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 9301774
2,4-dichloro-N-[2-(furan-3-yl)ethyl]-5-methylbenzenesulfonamide
CID 90558451
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 19680922) is 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2cccc(Cl)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is SBTFYCNAUZWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2S/c1-11-9-16(12(2)8-15(11)18)22(20,21)19-7-6-13-4-3-5-14(17)10-13/h3-5,8-10,19H,6-7H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 358.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19680922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).