N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide

C14H14N2O4S — CID 15294855

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-11-6-8-12(9-7-11)21(18,19)16-14-5-3-2-4-13(14)15-10-17/h2-10,16H,1H3,(H,15,17)
InChIKeyHVARORKGBJUJQL-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide

N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide (PubChem CID 15294855) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
PubChem CID15294855
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-11-6-8-12(9-7-11)21(18,19)16-14-5-3-2-4-13(14)15-10-17/h2-10,16H,1H3,(H,15,17)
InChIKeyHVARORKGBJUJQL-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
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-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide (CID 15294855) is N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide is COc1ccc(S(=O)(=O)Nc2ccccc2NC=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide?
The InChIKey is HVARORKGBJUJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-11-6-8-12(9-7-11)21(18,19)16-14-5-3-2-4-13(14)15-10-17/h2-10,16H,1H3,(H,15,17).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide has a molecular weight of 306.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]formamide is sourced from PubChem (CID 15294855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).