N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide

C15H16N2O5S — CID 168651398

IUPACN-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1NC=O
InChIInChI=1S/C15H16N2O5S/c1-21-13-9-15(14(22-2)8-12(13)16-10-18)23(19,20)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,16,18)
InChIKeyPPLDXVHSOJMAKY-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.07
Rot. Bonds7

About N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide

N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide (PubChem CID 168651398) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide
PubChem CID168651398
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1NC=O
InChIInChI=1S/C15H16N2O5S/c1-21-13-9-15(14(22-2)8-12(13)16-10-18)23(19,20)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,16,18)
InChIKeyPPLDXVHSOJMAKY-UHFFFAOYSA-N
XLogP2.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 168540878
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
methyl 2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]benzoate
CID 27242666
N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
CID 168652543
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide?
The IUPAC name of N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide (CID 168651398) is N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide?
The canonical SMILES for N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide is COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1NC=O.
What is the InChIKey of N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide?
The InChIKey is PPLDXVHSOJMAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-13-9-15(14(22-2)8-12(13)16-10-18)23(19,20)17-11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide?
N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide has a molecular weight of 336.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]formamide is sourced from PubChem (CID 168651398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).