N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide

C23H27N3O4S — CID 11604627

IUPACN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C23H27N3O4S/c1-16-13-26(14-17(2)24-16)22-12-20(6-9-23(22)29-3)25-31(27,28)21-7-4-18(5-8-21)19-10-11-30-15-19/h4-12,15-17,24-25H,13-14H2,1-3H3/t16-,17+
InChIKeyLFXPKQFKTTWJRU-CALCHBBNSA-N
MW441.55 g/mol
LogP3.94
Rot. Bonds6

About N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide

N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide (PubChem CID 11604627) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide
PubChem CID11604627
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C23H27N3O4S/c1-16-13-26(14-17(2)24-16)22-12-20(6-9-23(22)29-3)25-31(27,28)21-7-4-18(5-8-21)19-10-11-30-15-19/h4-12,15-17,24-25H,13-14H2,1-3H3/t16-,17+
InChIKeyLFXPKQFKTTWJRU-CALCHBBNSA-N
XLogP3.94
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide?
The IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide (CID 11604627) is N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide?
The canonical SMILES for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccoc3)cc2)cc1N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide?
The InChIKey is LFXPKQFKTTWJRU-CALCHBBNSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-13-26(14-17(2)24-16)22-12-20(6-9-23(22)29-3)25-31(27,28)21-7-4-18(5-8-21)19-10-11-30-15-19/h4-12,15-17,24-25H,13-14H2,1-3H3/t16-,17+.
What are the key properties of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide?
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-(furan-3-yl)benzenesulfonamide is sourced from PubChem (CID 11604627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).