N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide

C12H19NO3S — CID 869818

IUPACN-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12(2,3)9-16-4/h5-8,13H,9H2,1-4H3
InChIKeyKBNXZCJQUOAGGX-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.70
Rot. Bonds5

About N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide

N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 869818) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
PubChem CID869818
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
SMILESCOCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12(2,3)9-16-4/h5-8,13H,9H2,1-4H3
InChIKeyKBNXZCJQUOAGGX-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
4-acetyl-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 115606746
methyl 2-[4-[(1-methoxy-2-methylpropan-2-yl)sulfamoyl]phenyl]acetate
CID 115625371
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
3-chloro-N-(1-methoxy-2-methylpropan-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 106080650
N-(2-hydroxy-2-methylpropoxy)-4-methylbenzenesulfonamide
CID 118472528
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
CID 25037551
4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
CID 177217634
N-(1-aminooxy-2-methylpropan-2-yl)-4-ethylbenzenesulfonamide
CID 39371867

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide (CID 869818) is N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide is COCC(C)(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is KBNXZCJQUOAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12(2,3)9-16-4/h5-8,13H,9H2,1-4H3.
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide?
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 869818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).