3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide

C15H17ClN2O2S — CID 103936671

IUPAC3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)c(NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(9-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyCHDDGAHBZBPHRB-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.47
Rot. Bonds4

About 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide

3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide (PubChem CID 103936671) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
PubChem CID103936671
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)c(NC(C)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(9-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyCHDDGAHBZBPHRB-UHFFFAOYSA-N
XLogP3.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
2-chloro-N-[1-(3-methylphenyl)ethyl]-5-methylsulfonylaniline
CID 43780658
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-methylaniline
CID 107631068
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
N-[1-(4-tert-butylphenyl)ethyl]-2-chloro-5-methylaniline
CID 107630912
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide (CID 103936671) is 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide is Cc1ccc(Cl)c(NC(C)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide?
The InChIKey is CHDDGAHBZBPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-7-14(16)15(8-10)18-11(2)12-4-3-5-13(9-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide?
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 103936671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).