1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid

C12H14ClNO4S — CID 23607548

IUPAC1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyYZAPZFQZZXVTEL-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.83
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid

1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 23607548) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID23607548
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H14ClNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyYZAPZFQZZXVTEL-UHFFFAOYSA-N
XLogP1.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(3-chlorophenyl)sulfonyl-3,3-difluoropiperidine-4-carboxylic acid
CID 146132353
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
1-(3-chlorophenyl)sulfonyl-N-(1,3-thiazol-4-ylmethyl)piperidine-4-carboxamide
CID 20973380

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid (CID 23607548) is 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is YZAPZFQZZXVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16).
What are the key properties of 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid?
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 303.77 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 23607548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).