2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C13H17ClN2O4S — CID 60862727

IUPAC2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H17ClN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-10-5-6-12(14)11(8-10)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyDSNGMZDKLOPRRN-UHFFFAOYSA-N
MW332.81 g/mol
LogP2.57
Rot. Bonds4

About 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid

2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 60862727) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID60862727
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C13H17ClN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-10-5-6-12(14)11(8-10)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18)
InChIKeyDSNGMZDKLOPRRN-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63651770
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
CID 43624206
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
2-chloro-5-(cyclopropylsulfonylamino)benzoic acid
CID 62998220
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 60862727) is 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is CC1CCCCN1S(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is DSNGMZDKLOPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-9-4-2-3-7-16(9)21(19,20)15-10-5-6-12(14)11(8-10)13(17)18/h5-6,8-9,15H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 332.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 60862727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).