2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

C22H28N4O3S — CID 36723813

IUPAC2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H28N4O3S/c23-21(27)20-7-4-12-24-22(20)25-13-15-26(16-14-25)30(28,29)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-16H2,(H2,23,27)
InChIKeyUCRMLJHLHGJBPF-UHFFFAOYSA-N
MW428.56 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide

2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 36723813) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID36723813
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C22H28N4O3S/c23-21(27)20-7-4-12-24-22(20)25-13-15-26(16-14-25)30(28,29)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-16H2,(H2,23,27)
InChIKeyUCRMLJHLHGJBPF-UHFFFAOYSA-N
XLogP2.74
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 47087292
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 45422859
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
2-[4-(1-propylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide
CID 131927651
1-(4-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1178572
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423400
4-(4-cyclohexylphenyl)sulfonylthiomorpholine
CID 171989503

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide (CID 36723813) is 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is UCRMLJHLHGJBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c23-21(27)20-7-4-12-24-22(20)25-13-15-26(16-14-25)30(28,29)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h4,7-12,17H,1-3,5-6,13-16H2,(H2,23,27).
What are the key properties of 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide?
2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 36723813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).