2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide

C11H11ClN2O3S — CID 3059602

IUPAC2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccco2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7H2,(H2,13,15,16)
InChIKeyKVQSUQONFOYHLJ-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.19
Rot. Bonds4

About 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide

2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide (PubChem CID 3059602) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide
PubChem CID3059602
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccco2)cc1Cl
InChIInChI=1S/C11H11ClN2O3S/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7H2,(H2,13,15,16)
InChIKeyKVQSUQONFOYHLJ-UHFFFAOYSA-N
XLogP2.19
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide (CID 3059602) is 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccco2)cc1Cl.
What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide?
The InChIKey is KVQSUQONFOYHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-10-6-8(3-4-11(10)18(13,15)16)14-7-9-2-1-5-17-9/h1-6,14H,7H2,(H2,13,15,16).
What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide?
2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 3059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).