5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide

C17H22N2O4S2 — CID 3400251

IUPAC5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)17-13-15(12-11-14(17)3)18-24(20,21)16-9-7-6-8-10-16/h6-13,18H,4-5H2,1-3H3
InChIKeyYOKNDGRAXUBYDL-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.83
Rot. Bonds7

About 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide

5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 3400251) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID3400251
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1C
InChIInChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)17-13-15(12-11-14(17)3)18-24(20,21)16-9-7-6-8-10-16/h6-13,18H,4-5H2,1-3H3
InChIKeyYOKNDGRAXUBYDL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 96649
CID 96649
CID 6668
CID 6668
CID 8337
CID 8337
CID 235521
CID 235521
CID 5284378
CID 5284378
CID 235529
CID 235529
CID 2843133
CID 2843133
CID 2837473
CID 2837473
CID 66235
CID 66235
CID 235528
CID 235528
CID 15281645
CID 15281645
CID 572102
CID 572102

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide (CID 3400251) is 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1C.
What is the InChIKey of 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is YOKNDGRAXUBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-4-19(5-2)25(22,23)17-13-15(12-11-14(17)3)18-24(20,21)16-9-7-6-8-10-16/h6-13,18H,4-5H2,1-3H3.
What are the key properties of 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide?
5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 3400251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).