N-[(4-methylsulfonylphenyl)methyl]formamide

C9H11NO3S — CID 64992052

IUPACN-[(4-methylsulfonylphenyl)methyl]formamide
SMILESCS(=O)(=O)c1ccc(CNC=O)cc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyAPADBYZAINSRCR-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.34
Rot. Bonds4

About N-[(4-methylsulfonylphenyl)methyl]formamide

N-[(4-methylsulfonylphenyl)methyl]formamide (PubChem CID 64992052) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]formamide
PubChem CID64992052
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]formamide
SMILESCS(=O)(=O)c1ccc(CNC=O)cc1
InChIInChI=1S/C9H11NO3S/c1-14(12,13)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyAPADBYZAINSRCR-UHFFFAOYSA-N
XLogP0.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-[(4-methylsulfonylphenyl)methylamino]propyl]heptane-1,7-diamine;tetrahydrochloride
CID 14791342
N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
N-[(2-methoxy-4-methylsulfonylphenyl)methyl]formamide
CID 87126767
N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 48563474
N-[(4-methylsulfonylphenyl)methyl]propane-1-sulfonamide
CID 47387345
N-benzylformamide
CID 139060556
1-ethyl-4-methylsulfonylbenzene
CID 143759723
(Z)-3-methyl-4-[(4-methylsulfonylphenyl)methylamino]but-2-enoic acid
CID 103246016
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
1-N-[(4-methylsulfonylphenyl)methyl]cyclobutane-1,3-diamine
CID 80560489
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
N-[(4-phenylphenyl)methyl]formamide
CID 54112237

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]formamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]formamide (CID 64992052) is N-[(4-methylsulfonylphenyl)methyl]formamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]formamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]formamide is CS(=O)(=O)c1ccc(CNC=O)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]formamide?
The InChIKey is APADBYZAINSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-14(12,13)9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]formamide?
N-[(4-methylsulfonylphenyl)methyl]formamide has a molecular weight of 213.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]formamide is sourced from PubChem (CID 64992052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).