3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide

C17H22N2O4S2 — CID 2974290

IUPAC3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C17H22N2O4S2/c1-12-11-13(2)17(24(20,21)18-4)14(3)16(12)19(5)25(22,23)15-9-7-6-8-10-15/h6-11,18H,1-5H3
InChIKeyFTSBAZYYRAKCTD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.35
Rot. Bonds5

About 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide

3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide (PubChem CID 2974290) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide
PubChem CID2974290
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C17H22N2O4S2/c1-12-11-13(2)17(24(20,21)18-4)14(3)16(12)19(5)25(22,23)15-9-7-6-8-10-15/h6-11,18H,1-5H3
InChIKeyFTSBAZYYRAKCTD-UHFFFAOYSA-N
XLogP2.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide (CID 2974290) is 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide is CNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide?
The InChIKey is FTSBAZYYRAKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-12-11-13(2)17(24(20,21)18-4)14(3)16(12)19(5)25(22,23)15-9-7-6-8-10-15/h6-11,18H,1-5H3.
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide?
3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(methyl)amino]-N,2,4,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 2974290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).