3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid

C14H19NO4S — CID 61365990

IUPAC3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
SMILESCC1(NS(=O)(=O)Cc2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C14H19NO4S/c1-14(7-2-3-8-14)15-20(18,19)10-11-5-4-6-12(9-11)13(16)17/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyYIJXGWFSRALSBY-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.14
Rot. Bonds5

About 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid

3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid (PubChem CID 61365990) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
PubChem CID61365990
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
SMILESCC1(NS(=O)(=O)Cc2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C14H19NO4S/c1-14(7-2-3-8-14)15-20(18,19)10-11-5-4-6-12(9-11)13(16)17/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyYIJXGWFSRALSBY-UHFFFAOYSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoylmethyl]benzoic acid
CID 114628915
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
3-[3-(methylamino)propylsulfamoylmethyl]benzoic acid
CID 61403731
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
3-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoylmethyl]benzoic acid
CID 114755957
3-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]benzoic acid
CID 64686662
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
3-(2-methylsulfanylethylsulfamoylmethyl)benzoic acid
CID 43525945
3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
CID 107416749

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid (CID 61365990) is 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid is CC1(NS(=O)(=O)Cc2cccc(C(=O)O)c2)CCCC1.
What is the InChIKey of 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid?
The InChIKey is YIJXGWFSRALSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(7-2-3-8-14)15-20(18,19)10-11-5-4-6-12(9-11)13(16)17/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,16,17).
What are the key properties of 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid?
3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 61365990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).