N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide

C21H18N2O4S — CID 56651977

IUPACN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3ccccc3o2)ccc1-c1cnccc1C
InChIInChI=1S/C21H18N2O4S/c1-14-9-10-22-13-18(14)17-8-7-16(12-20(17)26-2)23-28(24,25)21-11-15-5-3-4-6-19(15)27-21/h3-13,23H,1-2H3
InChIKeyNHZOZTNKRVEYOA-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.61
Rot. Bonds5

About N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide

N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 56651977) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
PubChem CID56651977
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3ccccc3o2)ccc1-c1cnccc1C
InChIInChI=1S/C21H18N2O4S/c1-14-9-10-22-13-18(14)17-8-7-16(12-20(17)26-2)23-28(24,25)21-11-15-5-3-4-6-19(15)27-21/h3-13,23H,1-2H3
InChIKeyNHZOZTNKRVEYOA-UHFFFAOYSA-N
XLogP4.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 66714010
N-(4-isoquinolin-4-yl-3-methoxyphenyl)pyridine-2-sulfonamide
CID 56654728
N-(4-isoquinolin-4-yl-3-methoxyphenyl)quinoline-8-sulfonamide
CID 56652996
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
CID 87120808
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[3-(aminomethyl)phenyl]-1-benzofuran-2-sulfonamide
CID 155551049
N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]-3-sulfanylidenecyclohexa-1,5-diene-1-sulfonamide
CID 122506051
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 26657128
N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide (CID 56651977) is N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide is COc1cc(NS(=O)(=O)c2cc3ccccc3o2)ccc1-c1cnccc1C.
What is the InChIKey of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is NHZOZTNKRVEYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-14-9-10-22-13-18(14)17-8-7-16(12-20(17)26-2)23-28(24,25)21-11-15-5-3-4-6-19(15)27-21/h3-13,23H,1-2H3.
What are the key properties of N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide?
N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 394.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methyl-3-pyridinyl)phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 56651977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).