N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide

C19H17ClN2O6S — CID 644978

IUPACN-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H17ClN2O6S/c1-26-17-11-15(22-29(24,25)13-7-5-12(20)6-8-13)18(27-2)10-14(17)21-19(23)16-4-3-9-28-16/h3-11,22H,1-2H3,(H,21,23)
InChIKeyCRWKHQHGAPHBOO-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.00
Rot. Bonds7

About N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide

N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide (PubChem CID 644978) has the molecular formula C19H17ClN2O6S and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
PubChem CID644978
Molecular FormulaC19H17ClN2O6S
Molecular Weight436.87 g/mol
Exact Mass436.05
IUPAC NameN-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H17ClN2O6S/c1-26-17-11-15(22-29(24,25)13-7-5-12(20)6-8-13)18(27-2)10-14(17)21-19(23)16-4-3-9-28-16/h3-11,22H,1-2H3,(H,21,23)
InChIKeyCRWKHQHGAPHBOO-UHFFFAOYSA-N
XLogP4.00
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide (CID 644978) is N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide is COc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(OC)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
The InChIKey is CRWKHQHGAPHBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O6S/c1-26-17-11-15(22-29(24,25)13-7-5-12(20)6-8-13)18(27-2)10-14(17)21-19(23)16-4-3-9-28-16/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide?
N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfonylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 644978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).