2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide

C13H21NO2S — CID 19681816

IUPAC2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-10(2)7-8-14-17(15,16)13-6-5-11(3)9-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyYLHLEIFFGUERQS-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.63
Rot. Bonds5

About 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide

2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 19681816) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID19681816
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC(C)C)c(C)c1
InChIInChI=1S/C13H21NO2S/c1-10(2)7-8-14-17(15,16)13-6-5-11(3)9-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyYLHLEIFFGUERQS-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 106243978
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethylbenzenesulfonamide
CID 103875907
2,4-dimethyl-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044587
N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350
N-(1-chloropropan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65031366
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 19681816) is 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is YLHLEIFFGUERQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(2)7-8-14-17(15,16)13-6-5-11(3)9-12(13)4/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide?
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 19681816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).