N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide

C23H28N4O4S — CID 69196553

IUPACN-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide
SMILESCOc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1
InChIInChI=1S/C23H28N4O4S/c1-15-13-27(14-16(2)25-15)19-7-9-22(30-4)20(11-19)26-32(28,29)23-10-6-18(12-24-23)21-8-5-17(3)31-21/h5-12,15-16,25-26H,13-14H2,1-4H3
InChIKeySFTJLCAWCLWRGW-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.65
Rot. Bonds6

About N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide

N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide (PubChem CID 69196553) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide
PubChem CID69196553
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide
SMILESCOc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1
InChIInChI=1S/C23H28N4O4S/c1-15-13-27(14-16(2)25-15)19-7-9-22(30-4)20(11-19)26-32(28,29)23-10-6-18(12-24-23)21-8-5-17(3)31-21/h5-12,15-16,25-26H,13-14H2,1-4H3
InChIKeySFTJLCAWCLWRGW-UHFFFAOYSA-N
XLogP3.65
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyridin-2-ylbenzenesulfonamide
CID 142687146
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-(furan-2-yl)-2-methylbenzenesulfonamide
CID 24803350
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-2-methyl-4-(4-methylthiophen-2-yl)benzenesulfonamide
CID 69197763
N-[6-(3,5-dimethylpiperazin-1-yl)-3-methoxy-2-pyridinyl]-2-fluoro-4-(5-methylfuran-2-yl)benzenesulfonamide
CID 74375994
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-2-methyl-4-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 69196990
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-6-(furan-2-yl)pyridine-3-sulfonamide;N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyrimidin-2-ylbenzenesulfonamide
CID 161368671
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(4-fluorophenyl)thiophene-2-sulfonamide
CID 69197633
4-(3-chloro-4-fluorophenyl)-N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]benzenesulfonamide
CID 69194576
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-methyl-4-thiophen-3-ylbenzenesulfonamide
CID 69197149
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-7-(furan-2-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 11547550
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]naphthalene-1-sulfonamide
CID 69195231
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-3-fluoro-4-(5-methylthiophen-3-yl)benzenesulfonamide
CID 69194599

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide?
The IUPAC name of N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide (CID 69196553) is N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide is COc1ccc(N2CC(C)NC(C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cn1.
What is the InChIKey of N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide?
The InChIKey is SFTJLCAWCLWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-15-13-27(14-16(2)25-15)19-7-9-22(30-4)20(11-19)26-32(28,29)23-10-6-18(12-24-23)21-8-5-17(3)31-21/h5-12,15-16,25-26H,13-14H2,1-4H3.
What are the key properties of N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide?
N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide has a molecular weight of 456.57 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperazin-1-yl)-2-methoxyphenyl]-5-(5-methylfuran-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 69196553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).