2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide

C13H21NO3S — CID 967907

IUPAC2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)13-9-11(3)5-6-12(13)17-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyBBFXBIGMQZXGIL-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.33
Rot. Bonds6

About 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide

2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 967907) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID967907
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)13-9-11(3)5-6-12(13)17-4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyBBFXBIGMQZXGIL-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
CID 8511849
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide (CID 967907) is 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is BBFXBIGMQZXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)7-8-14-18(15,16)13-9-11(3)5-6-12(13)17-4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 967907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).