5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

C26H29N3O4S — CID 2982299

IUPAC5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O4S/c1-19-5-4-6-22(17-19)27-34(31,32)25-18-21(8-7-20(25)2)26(30)29-15-13-28(14-16-29)23-9-11-24(33-3)12-10-23/h4-12,17-18,27H,13-16H2,1-3H3
InChIKeyDLALVYFJHIQBJF-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.08
Rot. Bonds6

About 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide

5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 2982299) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID2982299
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O4S/c1-19-5-4-6-22(17-19)27-34(31,32)25-18-21(8-7-20(25)2)26(30)29-15-13-28(14-16-29)23-9-11-24(33-3)12-10-23/h4-12,17-18,27H,13-16H2,1-3H3
InChIKeyDLALVYFJHIQBJF-UHFFFAOYSA-N
XLogP4.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methylbenzenesulfonamide
CID 126415422
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2441786
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
ethyl 4-[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 35743469
2-chloro-N-(2,3-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 5178494
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
2-methyl-N-(3-methylphenyl)-5-(3-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119578072
2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
2-chloro-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2986770
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N-(3-chlorophenyl)-2-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 9314553

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 2982299) is 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)Nc4cccc(C)c4)c3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is DLALVYFJHIQBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19-5-4-6-22(17-19)27-34(31,32)25-18-21(8-7-20(25)2)26(30)29-15-13-28(14-16-29)23-9-11-24(33-3)12-10-23/h4-12,17-18,27H,13-16H2,1-3H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide?
5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 479.60 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2982299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).