3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

C12H12ClNO3S — CID 39616701

IUPAC3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9-11(13)5-2-6-12(9)18(15,16)14-8-10-4-3-7-17-10/h2-7,14H,8H2,1H3
InChIKeyUNIQGKGTIRCALV-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.72
Rot. Bonds4

About 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 39616701) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID39616701
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9-11(13)5-2-6-12(9)18(15,16)14-8-10-4-3-7-17-10/h2-7,14H,8H2,1H3
InChIKeyUNIQGKGTIRCALV-UHFFFAOYSA-N
XLogP2.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (CID 39616701) is 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is UNIQGKGTIRCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-9-11(13)5-2-6-12(9)18(15,16)14-8-10-4-3-7-17-10/h2-7,14H,8H2,1H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 285.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 39616701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).