N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide

C25H28N4O3S — CID 50795476

IUPACN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3cncc(N(C)S(=O)(=O)c4ccccc4)c3)CC2)c1C
InChIInChI=1S/C25H28N4O3S/c1-19-8-7-11-24(20(19)2)28-12-14-29(15-13-28)25(30)21-16-22(18-26-17-21)27(3)33(31,32)23-9-5-4-6-10-23/h4-11,16-18H,12-15H2,1-3H3
InChIKeySLTQAADCHCWHSM-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.49
Rot. Bonds5

About N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide

N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 50795476) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID50795476
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3cncc(N(C)S(=O)(=O)c4ccccc4)c3)CC2)c1C
InChIInChI=1S/C25H28N4O3S/c1-19-8-7-11-24(20(19)2)28-12-14-29(15-13-28)25(30)21-16-22(18-26-17-21)27(3)33(31,32)23-9-5-4-6-10-23/h4-11,16-18H,12-15H2,1-3H3
InChIKeySLTQAADCHCWHSM-UHFFFAOYSA-N
XLogP3.49
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228601
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
N-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 9152175
(2-amino-4-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110854415
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227873
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide (CID 50795476) is N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide is Cc1cccc(N2CCN(C(=O)c3cncc(N(C)S(=O)(=O)c4ccccc4)c3)CC2)c1C.
What is the InChIKey of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is SLTQAADCHCWHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-19-8-7-11-24(20(19)2)28-12-14-29(15-13-28)25(30)21-16-22(18-26-17-21)27(3)33(31,32)23-9-5-4-6-10-23/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide?
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 50795476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).