N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide

C16H17NO4S — CID 11370609

IUPACN-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide
SMILESCOc1ccc(C(NC=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-3-9-15(10-4-12)22(19,20)16(17-11-18)13-5-7-14(21-2)8-6-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyFIRCWAPDDBWIEJ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.22
Rot. Bonds6

About N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide

N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide (PubChem CID 11370609) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide
PubChem CID11370609
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide
SMILESCOc1ccc(C(NC=O)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO4S/c1-12-3-9-15(10-4-12)22(19,20)16(17-11-18)13-5-7-14(21-2)8-6-13/h3-11,16H,1-2H3,(H,17,18)
InChIKeyFIRCWAPDDBWIEJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The IUPAC name of N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide (CID 11370609) is N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide is COc1ccc(C(NC=O)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
The InChIKey is FIRCWAPDDBWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-3-9-15(10-4-12)22(19,20)16(17-11-18)13-5-7-14(21-2)8-6-13/h3-11,16H,1-2H3,(H,17,18).
What are the key properties of N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide?
N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide has a molecular weight of 319.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]formamide is sourced from PubChem (CID 11370609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).