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

C16H20N2O4S2 — CID 2969832

IUPAC3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c1-11-10-12(2)16(23(17,19)20)13(3)15(11)18(4)24(21,22)14-8-6-5-7-9-14/h5-10H,1-4H3,(H2,17,19,20)
InChIKeyKGDDEQXHAWBSKD-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.08
Rot. Bonds4

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

3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2969832) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide
PubChem CID2969832
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O4S2/c1-11-10-12(2)16(23(17,19)20)13(3)15(11)18(4)24(21,22)14-8-6-5-7-9-14/h5-10H,1-4H3,(H2,17,19,20)
InChIKeyKGDDEQXHAWBSKD-UHFFFAOYSA-N
XLogP2.08
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.08
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]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide (CID 2969832) is 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is KGDDEQXHAWBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-10-12(2)16(23(17,19)20)13(3)15(11)18(4)24(21,22)14-8-6-5-7-9-14/h5-10H,1-4H3,(H2,17,19,20).
What are the key properties of 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide?
3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(methyl)amino]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2969832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).