1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

C18H18ClNO4S — CID 1242607

IUPAC1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyRUKVZKQCIHJKQR-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 1242607) has the molecular formula C18H18ClNO4S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID1242607
Molecular FormulaC18H18ClNO4S
Molecular Weight379.87 g/mol
Exact Mass379.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18ClNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyRUKVZKQCIHJKQR-UHFFFAOYSA-N
XLogP3.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Daltroban
CID 54343
4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
CID 98738
1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
CID 2555963
1-(3-Chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
CID 8097106
1-[(3,4-Difluorophenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 2564278
1-[(5-Chlorothien-2-yl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 4961777
2-[4-[[1-[[(4-Chloro-2-fluorophenyl)sulfonylamino]methyl]cyclopentyl]methyl]phenyl]acetic acid
CID 18999626
1-[(4-Fluorophenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 1044274
3-(3-((N-(4-tert-butylbenzyl)-4-chlorophenylsulfonamido)methyl)phenyl)propanoic acid
CID 45272131
Sdccgsbi-0662746.P001
CID 45472621
1-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-4-phenylpiperidine-4-carboxylic acid
CID 45472651
[1-({[(4-Chlorophenyl)sulfonyl]amino}methyl)cyclohexyl]acetic acid
CID 16394957

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (CID 1242607) is 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is RUKVZKQCIHJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 379.87 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 1242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).