3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid

C14H18N2O5S — CID 126773299

IUPAC3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O5S/c1-22(20,21)15-12-6-3-7-16(9-12)13(17)10-4-2-5-11(8-10)14(18)19/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyRJULSSSMFJBYGI-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.54
Rot. Bonds4

About 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid

3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid (PubChem CID 126773299) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
PubChem CID126773299
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
SMILESCS(=O)(=O)NC1CCCN(C(=O)c2cccc(C(=O)O)c2)C1
InChIInChI=1S/C14H18N2O5S/c1-22(20,21)15-12-6-3-7-16(9-12)13(17)10-4-2-5-11(8-10)14(18)19/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyRJULSSSMFJBYGI-UHFFFAOYSA-N
XLogP0.54
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
N-[1-(3,5-dibromobenzoyl)piperidin-3-yl]methanesulfonamide
CID 103907786
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722
5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzamide
CID 119493833
N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079432
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
4-[3-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 125151434

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid (CID 126773299) is 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid is CS(=O)(=O)NC1CCCN(C(=O)c2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid?
The InChIKey is RJULSSSMFJBYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-22(20,21)15-12-6-3-7-16(9-12)13(17)10-4-2-5-11(8-10)14(18)19/h2,4-5,8,12,15H,3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid?
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid has a molecular weight of 326.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 126773299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).