N-ethynyl-N-(4-methylphenyl)methanesulfonamide

C10H11NO2S — CID 167716685

IUPACN-ethynyl-N-(4-methylphenyl)methanesulfonamide
SMILESC#CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C10H11NO2S/c1-4-11(14(3,12)13)10-7-5-9(2)6-8-10/h1,5-8H,2-3H3
InChIKeyFQDPRXHIXGZFET-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.35
Rot. Bonds2

About N-ethynyl-N-(4-methylphenyl)methanesulfonamide

N-ethynyl-N-(4-methylphenyl)methanesulfonamide (PubChem CID 167716685) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-ethynyl-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethynyl-N-(4-methylphenyl)methanesulfonamide
PubChem CID167716685
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-ethynyl-N-(4-methylphenyl)methanesulfonamide
SMILESC#CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C10H11NO2S/c1-4-11(14(3,12)13)10-7-5-9(2)6-8-10/h1,5-8H,2-3H3
InChIKeyFQDPRXHIXGZFET-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-N-ethynyl-4-methylbenzenesulfonamide
CID 166070307
N-[2-(4-methoxyphenyl)ethynyl]-N-(4-methylphenyl)methanesulfonamide
CID 156781325
N-methoxy-N-(4-methylphenyl)methanesulfonamide
CID 166448658
N-ethynyl-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 11356829
1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea
CID 5010172
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
N-ethynyl-4-methyl-N-propylbenzenesulfonamide
CID 12982566
sulfuric acid;1,4-xylene
CID 18423372

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-ethynyl-N-(4-methylphenyl)methanesulfonamide (CID 167716685) is N-ethynyl-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-ethynyl-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-ethynyl-N-(4-methylphenyl)methanesulfonamide is C#CN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-ethynyl-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is FQDPRXHIXGZFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-4-11(14(3,12)13)10-7-5-9(2)6-8-10/h1,5-8H,2-3H3.
What are the key properties of N-ethynyl-N-(4-methylphenyl)methanesulfonamide?
N-ethynyl-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 209.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 167716685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).