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

C18H24N2O4S2 — CID 7172630

IUPAC3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C18H24N2O4S2/c1-6-19-25(21,22)18-14(3)12-13(2)17(15(18)4)20(5)26(23,24)16-10-8-7-9-11-16/h7-12,19H,6H2,1-5H3
InChIKeyYRYGVXZFZWOXDY-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.74
Rot. Bonds6

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

3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide (PubChem CID 7172630) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
PubChem CID7172630
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C18H24N2O4S2/c1-6-19-25(21,22)18-14(3)12-13(2)17(15(18)4)20(5)26(23,24)16-10-8-7-9-11-16/h7-12,19H,6H2,1-5H3
InChIKeyYRYGVXZFZWOXDY-UHFFFAOYSA-N
XLogP2.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.74
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-ethyl-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide (CID 7172630) is 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide is CCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is YRYGVXZFZWOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-6-19-25(21,22)18-14(3)12-13(2)17(15(18)4)20(5)26(23,24)16-10-8-7-9-11-16/h7-12,19H,6H2,1-5H3.
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
3-[benzenesulfonyl(methyl)amino]-N-ethyl-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.74, 6 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-ethyl-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 7172630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).