2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid

C12H15ClN2O4S — CID 61398444

IUPAC2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-11-8-9(4-5-10(11)12(16)17)14-20(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17)
InChIKeyAUOSAADLAKCGKD-UHFFFAOYSA-N
MW318.78 g/mol
LogP2.18
Rot. Bonds4

About 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid

2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid (PubChem CID 61398444) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
PubChem CID61398444
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-11-8-9(4-5-10(11)12(16)17)14-20(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17)
InChIKeyAUOSAADLAKCGKD-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-methoxyazetidin-1-yl)sulfonylamino]benzoic acid
CID 166208292
2-chloro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167940996
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738
2-chloro-4-(ethylsulfamoylamino)benzoic acid
CID 114805820
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 29280963
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid?
The IUPAC name of 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid (CID 61398444) is 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid?
The canonical SMILES for 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid?
The InChIKey is AUOSAADLAKCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-11-8-9(4-5-10(11)12(16)17)14-20(18,19)15-6-2-1-3-7-15/h4-5,8,14H,1-3,6-7H2,(H,16,17).
What are the key properties of 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid?
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid has a molecular weight of 318.78 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 61398444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).