N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide

C13H22N2O4S2 — CID 62143236

IUPACN-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-6-10(2)15(4)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-3/h7-10,14H,6H2,1-5H3
InChIKeyDLMDSGPGDOYUHL-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.55
Rot. Bonds6

About N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide

N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide (PubChem CID 62143236) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
PubChem CID62143236
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-6-10(2)15(4)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-3/h7-10,14H,6H2,1-5H3
InChIKeyDLMDSGPGDOYUHL-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide (CID 62143236) is N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC.
What is the InChIKey of N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is DLMDSGPGDOYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-6-10(2)15(4)21(18,19)13-9-11(20(5,16)17)7-8-12(13)14-3/h7-10,14H,6H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide?
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 62143236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).