4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H23N3O4S2 — CID 87488147

IUPAC4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-2-6-18(7-3-16)22(27)10-13-25(14-11-22)20(26)17-4-8-19(9-5-17)31(28,29)24-21-23-12-15-30-21/h2-9,12,15,27H,10-11,13-14H2,1H3,(H,23,24)
InChIKeyBFBYUBBUQICKBI-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.38
Rot. Bonds5

About 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 87488147) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID87488147
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-2-6-18(7-3-16)22(27)10-13-25(14-11-22)20(26)17-4-8-19(9-5-17)31(28,29)24-21-23-12-15-30-21/h2-9,12,15,27H,10-11,13-14H2,1H3,(H,23,24)
InChIKeyBFBYUBBUQICKBI-UHFFFAOYSA-N
XLogP3.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487866
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[3-(4-methoxyphenoxy)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87487491
4-[3-(phenoxymethyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87501167
4-acetyl-N-[4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 43040246
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
4-[6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87486973
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 87488147) is 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(C2(O)CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is BFBYUBBUQICKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-2-6-18(7-3-16)22(27)10-13-25(14-11-22)20(26)17-4-8-19(9-5-17)31(28,29)24-21-23-12-15-30-21/h2-9,12,15,27H,10-11,13-14H2,1H3,(H,23,24).
What are the key properties of 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 457.58 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4-(4-methylphenyl)piperidine-1-carbonyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 87488147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).