2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

C13H21NO3S — CID 43845640

IUPAC2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)8-14-18(15,16)13-7-11(4)10(3)6-12(13)17-5/h6-7,9,14H,8H2,1-5H3
InChIKeyPAUIPMSMEALMIH-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.25
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide

2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43845640) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43845640
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C13H21NO3S/c1-9(2)8-14-18(15,16)13-7-11(4)10(3)6-12(13)17-5/h6-7,9,14H,8H2,1-5H3
InChIKeyPAUIPMSMEALMIH-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 51860924
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 95367046
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113024189
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide (CID 43845640) is 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PAUIPMSMEALMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-9(2)8-14-18(15,16)13-7-11(4)10(3)6-12(13)17-5/h6-7,9,14H,8H2,1-5H3.
What are the key properties of 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43845640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).