2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide

C17H22N2O4S2 — CID 113068496

IUPAC2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCN(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S2/c1-14-9-10-15(2)17(13-14)25(22,23)18-11-12-19(24(3,20)21)16-7-5-4-6-8-16/h4-10,13,18H,11-12H2,1-3H3
InChIKeyFYSIWRPPVZLSMM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.05
Rot. Bonds7

About 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide (PubChem CID 113068496) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
PubChem CID113068496
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCN(c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H22N2O4S2/c1-14-9-10-15(2)17(13-14)25(22,23)18-11-12-19(24(3,20)21)16-7-5-4-6-8-16/h4-10,13,18H,11-12H2,1-3H3
InChIKeyFYSIWRPPVZLSMM-UHFFFAOYSA-N
XLogP2.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113070411
4-ethyl-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068757
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113069281
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide (CID 113068496) is 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCN(c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The InChIKey is FYSIWRPPVZLSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-9-10-15(2)17(13-14)25(22,23)18-11-12-19(24(3,20)21)16-7-5-4-6-8-16/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 113068496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).