2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide

C17H18ClNO3S — CID 3793002

IUPAC2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C17H18ClNO3S/c1-11-8-9-14(16-12(11)10-17(2,3)22-16)19-23(20,21)15-7-5-4-6-13(15)18/h4-9,19H,10H2,1-3H3
InChIKeyQZPHHVQHIHSOTN-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.16
Rot. Bonds3

About 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide

2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide (PubChem CID 3793002) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
PubChem CID3793002
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Cl)c2c1CC(C)(C)O2
InChIInChI=1S/C17H18ClNO3S/c1-11-8-9-14(16-12(11)10-17(2,3)22-16)19-23(20,21)15-7-5-4-6-13(15)18/h4-9,19H,10H2,1-3H3
InChIKeyQZPHHVQHIHSOTN-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide (CID 3793002) is 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c2c1CC(C)(C)O2.
What is the InChIKey of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
The InChIKey is QZPHHVQHIHSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11-8-9-14(16-12(11)10-17(2,3)22-16)19-23(20,21)15-7-5-4-6-13(15)18/h4-9,19H,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide?
2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)benzenesulfonamide is sourced from PubChem (CID 3793002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).