2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide

C15H24N2O3S — CID 79908582

IUPAC2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
SMILESCc1ccc(NC2CC(C)(C)OC2(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-10-6-7-11(8-12(10)21(16,18)19)17-13-9-14(2,3)20-15(13,4)5/h6-8,13,17H,9H2,1-5H3,(H2,16,18,19)
InChIKeyZPQVZELYBAVTKC-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide

2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide (PubChem CID 79908582) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
PubChem CID79908582
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
SMILESCc1ccc(NC2CC(C)(C)OC2(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-10-6-7-11(8-12(10)21(16,18)19)17-13-9-14(2,3)20-15(13,4)5/h6-8,13,17H,9H2,1-5H3,(H2,16,18,19)
InChIKeyZPQVZELYBAVTKC-UHFFFAOYSA-N
XLogP2.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-N-(3-methylsulfonylphenyl)oxolan-3-amine
CID 79927517
5-(cyclopentylamino)-2-methylbenzenesulfonamide
CID 28653417
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
CID 79927779
N-(3-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79918656
2-methyl-5-(oxepan-4-ylamino)benzenesulfonamide
CID 65077103
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
N-[2-fluoro-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]acetamide
CID 79911734
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
CID 79724380
6-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-4H-1,4-benzoxazin-3-one
CID 79908581
2-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanol
CID 79927130
1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone
CID 133463572
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide (CID 79908582) is 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide is Cc1ccc(NC2CC(C)(C)OC2(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide?
The InChIKey is ZPQVZELYBAVTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-6-7-11(8-12(10)21(16,18)19)17-13-9-14(2,3)20-15(13,4)5/h6-8,13,17H,9H2,1-5H3,(H2,16,18,19).
What are the key properties of 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide?
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79908582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).