N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide

C12H19NO3S — CID 934523

IUPACN-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H19NO3S/c1-9-6-7-10(16-5)11(8-9)17(14,15)13-12(2,3)4/h6-8,13H,1-5H3
InChIKeyOGWVPKLYWVRTSK-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.08
Rot. Bonds3

About N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide

N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 934523) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
PubChem CID934523
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-tert-butyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H19NO3S/c1-9-6-7-10(16-5)11(8-9)17(14,15)13-12(2,3)4/h6-8,13H,1-5H3
InChIKeyOGWVPKLYWVRTSK-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
5-(2-Aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride
CID 21848695
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
(R)-(-)-5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
CID 10060387
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
N-cyclohexyl-2-ethoxy-5-methylbenzenesulfonamide
CID 850126
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887
N-cyclopentyl-2-methoxy-5-methylbenzenesulfonamide
CID 967889
N-[2-(1-cyclohexen-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 967893
4-methoxy-3-methyl-N-(1-methylbutyl)benzenesulfonamide
CID 2954109
2-methoxy-5-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2978475
N,3-ditert-butyl-4-methoxybenzenesulfonamide
CID 9267355

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide (CID 934523) is N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is OGWVPKLYWVRTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9-6-7-10(16-5)11(8-9)17(14,15)13-12(2,3)4/h6-8,13H,1-5H3.
What are the key properties of N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide?
N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 934523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).