1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid

C13H14ClN5O4S — CID 122070238

IUPAC1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H14ClN5O4S/c14-10-5-4-8(7-9(10)12-15-17-18-16-12)24(22,23)19-6-2-1-3-11(19)13(20)21/h4-5,7,11H,1-3,6H2,(H,20,21)(H,15,16,17,18)
InChIKeyDWNCMXPGFUGJSW-UHFFFAOYSA-N
MW371.81 g/mol
LogP1.15
Rot. Bonds4

About 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid

1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid (PubChem CID 122070238) has the molecular formula C13H14ClN5O4S and a molecular weight of 371.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid
PubChem CID122070238
Molecular FormulaC13H14ClN5O4S
Molecular Weight371.81 g/mol
Exact Mass371.05
IUPAC Name1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H14ClN5O4S/c14-10-5-4-8(7-9(10)12-15-17-18-16-12)24(22,23)19-6-2-1-3-11(19)13(20)21/h4-5,7,11H,1-3,6H2,(H,20,21)(H,15,16,17,18)
InChIKeyDWNCMXPGFUGJSW-UHFFFAOYSA-N
XLogP1.15
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
(2R)-1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 10991265
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 2100876
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 2960770
(2R)-1-(3-chloro-4-cyanophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862708
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-2-carboxylic acid
CID 45475737
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid (CID 122070238) is 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1.
What is the InChIKey of 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid?
The InChIKey is DWNCMXPGFUGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O4S/c14-10-5-4-8(7-9(10)12-15-17-18-16-12)24(22,23)19-6-2-1-3-11(19)13(20)21/h4-5,7,11H,1-3,6H2,(H,20,21)(H,15,16,17,18).
What are the key properties of 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid?
1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid has a molecular weight of 371.81 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 122070238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).