2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide

C15H26N2O4S2 — CID 113064916

IUPAC2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-6-8-17(22(5,18)19)9-7-16-23(20,21)15-13(3)10-12(2)11-14(15)4/h10-11,16H,6-9H2,1-5H3
InChIKeyWEKZUNHTUILIDG-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.56
Rot. Bonds8

About 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide (PubChem CID 113064916) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
PubChem CID113064916
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC Name2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H26N2O4S2/c1-6-8-17(22(5,18)19)9-7-16-23(20,21)15-13(3)10-12(2)11-14(15)4/h10-11,16H,6-9H2,1-5H3
InChIKeyWEKZUNHTUILIDG-UHFFFAOYSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113065655
N-propyl-N-[2-[(2,4,6-trimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113051922
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-ethyl-2,4,6-trimethylbenzenesulfonamide;molecular hydrogen
CID 142348370
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120516640
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide (CID 113064916) is 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide is CCCN(CCNS(=O)(=O)c1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
The InChIKey is WEKZUNHTUILIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-6-8-17(22(5,18)19)9-7-16-23(20,21)15-13(3)10-12(2)11-14(15)4/h10-11,16H,6-9H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide has a molecular weight of 362.52 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113064916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).