N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide

C14H23NO2S — CID 110783047

IUPACN-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-6-7-18(16,17)15-10-14-9-12(3)11(2)8-13(14)4/h8-9,15H,5-7,10H2,1-4H3
InChIKeyJVELDGJIDJCFRC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.83
Rot. Bonds6

About N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide

N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide (PubChem CID 110783047) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
PubChem CID110783047
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1cc(C)c(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-5-6-7-18(16,17)15-10-14-9-12(3)11(2)8-13(14)4/h8-9,15H,5-7,10H2,1-4H3
InChIKeyJVELDGJIDJCFRC-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9167228
Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
1-(2-(aminomethyl)phenyl)-N-methylmethanesulfonamide
CID 9106618
Cmpda
CID 9969799
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-propyl]-amide
CID 9817709
Propane-2-sulfonic acid [2-(4-tert-butyl-phenyl)-butyl]-amide
CID 10519128
(4-(Methanesulfonylmethyl)phenyl)methanamine
CID 45791392
(3-(Methanesulfonylmethyl)phenyl)methanamine
CID 47002325
(R)-N-(2-phenylpropyl)propane-2-sulfonamide
CID 21893415
N-(2,3-dihydro-1H-inden-5-ylmethyl)methanesulfonamide
CID 110780383
N-(1-phenylethyl)ethanesulfonamide
CID 2932389

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide (CID 110783047) is N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1cc(C)c(C)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide?
The InChIKey is JVELDGJIDJCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-6-7-18(16,17)15-10-14-9-12(3)11(2)8-13(14)4/h8-9,15H,5-7,10H2,1-4H3.
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide?
N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110783047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).