N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C24H25N3O5S — CID 22110085

IUPACN-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c(C)c1
InChIInChI=1S/C24H25N3O5S/c1-17-8-9-21(18(2)15-17)25-33(30,31)20-6-3-5-19(16-20)23(28)26-10-12-27(13-11-26)24(29)22-7-4-14-32-22/h3-9,14-16,25H,10-13H2,1-2H3
InChIKeyNLKHQPVSSOSZGT-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.30
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 22110085) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID22110085
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c(C)c1
InChIInChI=1S/C24H25N3O5S/c1-17-8-9-21(18(2)15-17)25-33(30,31)20-6-3-5-19(16-20)23(28)26-10-12-27(13-11-26)24(29)22-7-4-14-32-22/h3-9,14-16,25H,10-13H2,1-2H3
InChIKeyNLKHQPVSSOSZGT-UHFFFAOYSA-N
XLogP3.30
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323
N-[4-(difluoromethylsulfanyl)phenyl]-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 42910410
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 22110085) is N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is NLKHQPVSSOSZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-8-9-21(18(2)15-17)25-33(30,31)20-6-3-5-19(16-20)23(28)26-10-12-27(13-11-26)24(29)22-7-4-14-32-22/h3-9,14-16,25H,10-13H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 22110085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).