4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid

C11H13ClN2O4S — CID 29280963

IUPAC4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-3-8(11(15)16)7-10(9)13-19(17,18)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2,(H,15,16)
InChIKeyMFVYNOFXFQJCAY-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.79
Rot. Bonds4

About 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid

4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid (PubChem CID 29280963) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
PubChem CID29280963
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H13ClN2O4S/c12-9-4-3-8(11(15)16)7-10(9)13-19(17,18)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2,(H,15,16)
InChIKeyMFVYNOFXFQJCAY-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-(piperidin-1-ylsulfonylamino)benzoate
CID 110705948
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
3-(azepane-1-carbonylamino)-4-chlorobenzoic acid
CID 61188522
2-chloro-5-methyl-4-(pyrrolidin-1-ylsulfonylamino)benzoic acid
CID 167940996
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
2-chloro-4-(piperidin-1-ylsulfonylamino)benzoic acid
CID 61398444
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
4-chloro-3-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 43659203
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
4-chloro-3-(2-methoxyethylsulfonylamino)benzoic acid
CID 55010075
3-methyl-4-(piperazin-1-ylsulfonylamino)benzoic acid
CID 61254687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid (CID 29280963) is 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid is O=C(O)c1ccc(Cl)c(NS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid?
The InChIKey is MFVYNOFXFQJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c12-9-4-3-8(11(15)16)7-10(9)13-19(17,18)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6H2,(H,15,16).
What are the key properties of 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid?
4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid has a molecular weight of 304.75 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(pyrrolidin-1-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 29280963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).