1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid

C14H18ClNO4S — CID 63125671

IUPAC1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO4S/c1-2-14(13(17)18)7-9-16(10-8-14)21(19,20)12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,17,18)
InChIKeyIVSARVYNBVCHMG-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid

1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid (PubChem CID 63125671) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
PubChem CID63125671
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H18ClNO4S/c1-2-14(13(17)18)7-9-16(10-8-14)21(19,20)12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,17,18)
InChIKeyIVSARVYNBVCHMG-UHFFFAOYSA-N
XLogP2.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(aminomethyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxylate
CID 70833458
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
CID 97133385
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
1-[(2-chloro-6-hydroxyphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 114322212
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149357
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid (CID 63125671) is 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is IVSARVYNBVCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-2-14(13(17)18)7-9-16(10-8-14)21(19,20)12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid?
1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 331.82 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).