3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C14H20N2O4S — CID 43107263

IUPAC3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C14H20N2O4S/c1-10-6-5-8-12(14(17)18)13(10)15-21(19,20)16-9-4-3-7-11(16)2/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyJMJMASCIXRLZLI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 43107263) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID43107263
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCc1cccc(C(=O)O)c1NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C14H20N2O4S/c1-10-6-5-8-12(14(17)18)13(10)15-21(19,20)16-9-4-3-7-11(16)2/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyJMJMASCIXRLZLI-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
2-(methanesulfonamido)-3-methylbenzoic acid
CID 16773117
3-methyl-2-(2-methylpiperidin-1-yl)benzoic acid
CID 107112011
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
2-(cyclooctylamino)-3-methylbenzoic acid
CID 107111851
methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
CID 43624206
2-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)piperidine-1-sulfonamide
CID 43093895
3-methyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid
CID 43069587
2-methyl-N-phenacylpiperidine-1-sulfonamide
CID 64994247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 43107263) is 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is Cc1cccc(C(=O)O)c1NS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is JMJMASCIXRLZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-6-5-8-12(14(17)18)13(10)15-21(19,20)16-9-4-3-7-11(16)2/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 312.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 43107263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).