N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide

C15H25NO2S — CID 53289057

IUPACN-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-10(2)15(11(3)4)16-19(17,18)14-9-12(5)7-8-13(14)6/h7-11,15-16H,1-6H3
InChIKeyLHGACGZDPSFIKB-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.26
Rot. Bonds5

About N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide

N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 53289057) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID53289057
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)c1
InChIInChI=1S/C15H25NO2S/c1-10(2)15(11(3)4)16-19(17,18)14-9-12(5)7-8-13(14)6/h7-11,15-16H,1-6H3
InChIKeyLHGACGZDPSFIKB-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2-[(2,5-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 78429212
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
(2S,3R)-2-[(2,5-dimethylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 14100896
4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084160
N-[(2R,4S)-1,4-dihydroxy-5,5-dimethylhexan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 124846112
(2R)-4-amino-2-[(2,5-dimethylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828841
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylpentanoate
CID 6940754
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide (CID 53289057) is N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)c1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is LHGACGZDPSFIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-10(2)15(11(3)4)16-19(17,18)14-9-12(5)7-8-13(14)6/h7-11,15-16H,1-6H3.
What are the key properties of N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide?
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 53289057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).