N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide

C12H10ClNO4S — CID 71859596

IUPACN-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1Cl)c1ccco1
InChIInChI=1S/C12H10ClNO4S/c13-10-5-2-1-4-9(10)8-19(16,17)14-12(15)11-6-3-7-18-11/h1-7H,8H2,(H,14,15)
InChIKeySZLZFMZQBFWKFF-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.19
Rot. Bonds4

About N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide

N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide (PubChem CID 71859596) has the molecular formula C12H10ClNO4S and a molecular weight of 299.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
PubChem CID71859596
Molecular FormulaC12H10ClNO4S
Molecular Weight299.74 g/mol
Exact Mass299.00
IUPAC NameN-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1Cl)c1ccco1
InChIInChI=1S/C12H10ClNO4S/c13-10-5-2-1-4-9(10)8-19(16,17)14-12(15)11-6-3-7-18-11/h1-7H,8H2,(H,14,15)
InChIKeySZLZFMZQBFWKFF-UHFFFAOYSA-N
XLogP2.19
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
N'-[3-(2-chlorophenyl)propanoyl]furan-2-carbohydrazide
CID 29436828
N-[(2-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 17194361
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
N'-benzylsulfonylfuran-2-carbohydrazide
CID 8515985
N-(5-chlorothiophen-2-yl)sulfonylfuran-2-carboxamide
CID 47108903
(2-chlorophenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 46796022
N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
N-[2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111174405
1-(2-chlorophenyl)-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 71781530

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide (CID 71859596) is N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide is O=C(NS(=O)(=O)Cc1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide?
The InChIKey is SZLZFMZQBFWKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S/c13-10-5-2-1-4-9(10)8-19(16,17)14-12(15)11-6-3-7-18-11/h1-7H,8H2,(H,14,15).
What are the key properties of N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide?
N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide has a molecular weight of 299.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylsulfonyl]furan-2-carboxamide is sourced from PubChem (CID 71859596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).