N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide

C15H15NO3S — CID 11231568

IUPACN-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)15(16-11-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,16,17)
InChIKeyCLISTJAYEKDBHB-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.21
Rot. Bonds5

About N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide

N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide (PubChem CID 11231568) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide
PubChem CID11231568
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide
SMILESCc1ccc(S(=O)(=O)C(NC=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)15(16-11-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,16,17)
InChIKeyCLISTJAYEKDBHB-UHFFFAOYSA-N
XLogP2.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide?
The IUPAC name of N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide (CID 11231568) is N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide.
What is the SMILES notation for N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide?
The canonical SMILES for N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide is Cc1ccc(S(=O)(=O)C(NC=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide?
The InChIKey is CLISTJAYEKDBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-12-7-9-14(10-8-12)20(18,19)15(16-11-17)13-5-3-2-4-6-13/h2-11,15H,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide?
N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide has a molecular weight of 289.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonyl-phenylmethyl]formamide is sourced from PubChem (CID 11231568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).