2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide

C13H15ClN2O3S — CID 60780514

IUPAC2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H15ClN2O3S/c1-2-16-20(17,18)12-6-4-3-5-11(12)15-9-10-7-8-13(14)19-10/h3-8,15-16H,2,9H2,1H3
InChIKeyMCXIQIQSLSIMBJ-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.84
Rot. Bonds6

About 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide

2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide (PubChem CID 60780514) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
PubChem CID60780514
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H15ClN2O3S/c1-2-16-20(17,18)12-6-4-3-5-11(12)15-9-10-7-8-13(14)19-10/h3-8,15-16H,2,9H2,1H3
InChIKeyMCXIQIQSLSIMBJ-UHFFFAOYSA-N
XLogP2.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfanilamide, N(sup 4)-furfuryl-
CID 3059601
Sulfanilamide, 2-chloro-N(sup 4)-furfuryl-
CID 3059602
2-[(2-Chloro-phenyl)-methanesulfonyl-amino]-N-furan-2-ylmethyl-acetamide
CID 808265
4-Chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonic acid;furan-2-ylmethanamine
CID 13045550
1,3-Benzenedisulfonamide, 4-chloro-6-((2-furanylmethyl)amino)-
CID 3059609
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 3587912
Sodium 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23683941
Sodium 4-chloro-2-[furan-2-ylmethyl(methyl)amino]-5-sulfamoylbenzenesulfonate
CID 23683944
sodium 4-(4-chloro-N-methylanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23683963
Sodium 4-(4-chloroanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23683966
Sodium 4-(2-chloroanilino)-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23683969
Sodium 2-chloro-4-(furan-2-ylmethylamino)-5-sulfamoylbenzenesulfonate
CID 23683981

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide (CID 60780514) is 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCc1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide?
The InChIKey is MCXIQIQSLSIMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-2-16-20(17,18)12-6-4-3-5-11(12)15-9-10-7-8-13(14)19-10/h3-8,15-16H,2,9H2,1H3.
What are the key properties of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide?
2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 60780514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).