2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid

C14H16ClNO5S — CID 146109222

IUPAC2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1Cl
InChIInChI=1S/C14H16ClNO5S/c15-11-7-9(3-4-10(11)14(17)18)22(19,20)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13,16H,1-2,5-6H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyBVHNPNRUFKXNFT-OLZOCXBDSA-N
MW345.80 g/mol
LogP1.88
Rot. Bonds5

About 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid

2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid (PubChem CID 146109222) has the molecular formula C14H16ClNO5S and a molecular weight of 345.80 g/mol. Its IUPAC name is 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
PubChem CID146109222
Molecular FormulaC14H16ClNO5S
Molecular Weight345.80 g/mol
Exact Mass345.04
IUPAC Name2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1Cl
InChIInChI=1S/C14H16ClNO5S/c15-11-7-9(3-4-10(11)14(17)18)22(19,20)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13,16H,1-2,5-6H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyBVHNPNRUFKXNFT-OLZOCXBDSA-N
XLogP1.88
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[(2S,3R)-2-ethenyloxan-3-yl]sulfamoyl]benzoic acid
CID 154808021
2-chloro-4-(oxetan-3-ylsulfamoyl)benzoic acid
CID 107090176
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
2-chloro-4-cyclohex-2-en-1-ylsulfonylbenzoic acid
CID 107090519
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
2-chloro-N-(2-cyclopropyloxolan-3-yl)-4-nitrobenzamide
CID 103864624
2-chloro-4-cyclobutylsulfonylbenzoic acid
CID 146193870
2-chloro-4-(1-cyclopropylpropan-2-ylsulfamoyl)benzoic acid
CID 107090100
2-chloro-4-[[1-(oxan-4-yl)pyrazol-3-yl]sulfamoyl]benzoic acid
CID 136551728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid (CID 146109222) is 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid?
The InChIKey is BVHNPNRUFKXNFT-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16ClNO5S/c15-11-7-9(3-4-10(11)14(17)18)22(19,20)16-12-5-6-21-13(12)8-1-2-8/h3-4,7-8,12-13,16H,1-2,5-6H2,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid?
2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid has a molecular weight of 345.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[(2S,3R)-2-cyclopropyloxolan-3-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 146109222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).