N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C23H21N5O3S — CID 55455438

IUPACN-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H21N5O3S/c24-17-19-7-5-11-25-22(19)27-12-14-28(15-13-27)23(29)18-6-4-8-20(16-18)26-32(30,31)21-9-2-1-3-10-21/h1-11,16,26H,12-15H2
InChIKeyVMTXGUCWXXLXTN-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.72
Rot. Bonds5

About N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 55455438) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID55455438
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC NameN-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1
InChIInChI=1S/C23H21N5O3S/c24-17-19-7-5-11-25-22(19)27-12-14-28(15-13-27)23(29)18-6-4-8-20(16-18)26-32(30,31)21-9-2-1-3-10-21/h1-11,16,26H,12-15H2
InChIKeyVMTXGUCWXXLXTN-UHFFFAOYSA-N
XLogP2.72
TPSA106.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55461328
3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55455435
4-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55455849
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
2-[4-(3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455428
N-[2-chloro-5-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 55456171
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55570571
N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55349862

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 55455438) is N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is N#Cc1cccnc1N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1.
What is the InChIKey of N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is VMTXGUCWXXLXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c24-17-19-7-5-11-25-22(19)27-12-14-28(15-13-27)23(29)18-6-4-8-20(16-18)26-32(30,31)21-9-2-1-3-10-21/h1-11,16,26H,12-15H2.
What are the key properties of N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 55455438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).