N-[(4-butylphenyl)methyl]methanesulfonamide

C12H19NO2S — CID 22246914

IUPACN-[(4-butylphenyl)methyl]methanesulfonamide
SMILESCCCCc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S/c1-3-4-5-11-6-8-12(9-7-11)10-13-16(2,14)15/h6-9,13H,3-5,10H2,1-2H3
InChIKeyZNMXDIJKUUNOLK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.08
Rot. Bonds6

About N-[(4-butylphenyl)methyl]methanesulfonamide

N-[(4-butylphenyl)methyl]methanesulfonamide (PubChem CID 22246914) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]methanesulfonamide
PubChem CID22246914
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(4-butylphenyl)methyl]methanesulfonamide
SMILESCCCCc1ccc(CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H19NO2S/c1-3-4-5-11-6-8-12(9-7-11)10-13-16(2,14)15/h6-9,13H,3-5,10H2,1-2H3
InChIKeyZNMXDIJKUUNOLK-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butoxyphenyl)methyl]methanesulfonamide
CID 22246920
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
N-[2-(4-propylphenyl)ethyl]methanesulfonamide
CID 110787811
N-[3-[1-(4-butylphenyl)ethylamino]propyl]methanesulfonamide
CID 103776555
CID 70601747
CID 70601747
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
N-[(6-propyl-3-pyridinyl)methyl]methanesulfonamide
CID 57090435
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
(4-butylphenyl)methylcarbamic acid
CID 22507604
4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 58145312
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(4-butylphenyl)methyl]methanesulfonamide (CID 22246914) is N-[(4-butylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(4-butylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(4-butylphenyl)methyl]methanesulfonamide is CCCCc1ccc(CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-butylphenyl)methyl]methanesulfonamide?
The InChIKey is ZNMXDIJKUUNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-4-5-11-6-8-12(9-7-11)10-13-16(2,14)15/h6-9,13H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)methyl]methanesulfonamide?
N-[(4-butylphenyl)methyl]methanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 22246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).