N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

C24H26N4O3S — CID 31567043

IUPACN-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-19-7-8-22(32(30,31)26-18-20-5-3-2-4-6-20)17-23(19)24(29)28-15-13-27(14-16-28)21-9-11-25-12-10-21/h2-12,17,26H,13-16,18H2,1H3
InChIKeyKDCLPKOCNJMWJB-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.83
Rot. Bonds6

About N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 31567043) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID31567043
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H26N4O3S/c1-19-7-8-22(32(30,31)26-18-20-5-3-2-4-6-20)17-23(19)24(29)28-15-13-27(14-16-28)21-9-11-25-12-10-21/h2-12,17,26H,13-16,18H2,1H3
InChIKeyKDCLPKOCNJMWJB-UHFFFAOYSA-N
XLogP2.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
3-(4-aminopiperidine-1-carbonyl)-N-benzyl-4-methylbenzenesulfonamide;hydrochloride
CID 119375100
N-benzyl-3-(4-cyclopentylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 55585013
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 53257718
[5-[(4-chlorophenyl)methylsulfonyl]-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 152814620
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
4-(benzylsulfamoyl)-2-carboxyphenolate
CID 54712789
4-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71249741
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 31567043) is N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is KDCLPKOCNJMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-19-7-8-22(32(30,31)26-18-20-5-3-2-4-6-20)17-23(19)24(29)28-15-13-27(14-16-28)21-9-11-25-12-10-21/h2-12,17,26H,13-16,18H2,1H3.
What are the key properties of N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 31567043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).