N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide

C13H13ClN2O4S — CID 107650719

IUPACN-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)CCCl)c1)c1ccco1
InChIInChI=1S/C13H13ClN2O4S/c14-6-8-21(18,19)16-11-4-1-3-10(9-11)15-13(17)12-5-2-7-20-12/h1-5,7,9,16H,6,8H2,(H,15,17)
InChIKeyTVHWVCUECWOVIM-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.51
Rot. Bonds6

About N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide

N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide (PubChem CID 107650719) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
PubChem CID107650719
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC NameN-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)CCCl)c1)c1ccco1
InChIInChI=1S/C13H13ClN2O4S/c14-6-8-21(18,19)16-11-4-1-3-10(9-11)15-13(17)12-5-2-7-20-12/h1-5,7,9,16H,6,8H2,(H,15,17)
InChIKeyTVHWVCUECWOVIM-UHFFFAOYSA-N
XLogP2.51
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-chloroethylsulfonylamino)phenyl]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

Related Compounds

N-[3-[(4-sulfamoylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18206661
2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[[2-(diethylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54813683
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9072392
N-[3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 25342623
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[[4-chloro-3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 24672563
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[(4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 26169104

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide (CID 107650719) is N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide is O=C(Nc1cccc(NS(=O)(=O)CCCl)c1)c1ccco1.
What is the InChIKey of N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide?
The InChIKey is TVHWVCUECWOVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-6-8-21(18,19)16-11-4-1-3-10(9-11)15-13(17)12-5-2-7-20-12/h1-5,7,9,16H,6,8H2,(H,15,17).
What are the key properties of N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide?
N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide has a molecular weight of 328.78 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethylsulfonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 107650719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).