1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

C16H16ClNO4S2 — CID 4961777

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16ClNO4S2/c17-13-6-7-14(23-13)24(21,22)18-10-8-16(9-11-18,15(19)20)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)
InChIKeyKIUCSPQNUZFWLB-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.21
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 4961777) has the molecular formula C16H16ClNO4S2 and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID4961777
Molecular FormulaC16H16ClNO4S2
Molecular Weight385.89 g/mol
Exact Mass385.02
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C16H16ClNO4S2/c17-13-6-7-14(23-13)24(21,22)18-10-8-16(9-11-18,15(19)20)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)
InChIKeyKIUCSPQNUZFWLB-UHFFFAOYSA-N
XLogP3.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (CID 4961777) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is KIUCSPQNUZFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S2/c17-13-6-7-14(23-13)24(21,22)18-10-8-16(9-11-18,15(19)20)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 385.89 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 4961777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).