3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid

C15H21NO4S — CID 107416749

IUPAC3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
SMILESCC1CCCC1CNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO4S/c1-11-4-2-7-14(11)9-16-21(19,20)10-12-5-3-6-13(8-12)15(17)18/h3,5-6,8,11,14,16H,2,4,7,9-10H2,1H3,(H,17,18)
InChIKeyKIAJYSINMYWCPT-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.24
Rot. Bonds6

About 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid

3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid (PubChem CID 107416749) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
PubChem CID107416749
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid
SMILESCC1CCCC1CNS(=O)(=O)Cc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO4S/c1-11-4-2-7-14(11)9-16-21(19,20)10-12-5-3-6-13(8-12)15(17)18/h3,5-6,8,11,14,16H,2,4,7,9-10H2,1H3,(H,17,18)
InChIKeyKIAJYSINMYWCPT-UHFFFAOYSA-N
XLogP2.24
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
3-(oxan-4-ylmethylsulfamoylmethyl)benzoic acid
CID 63713772
3-[[(2,3-dimethylcyclohexyl)methylamino]methyl]benzoic acid
CID 122033784
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-(2,3-dihydro-1H-inden-1-ylmethylsulfamoylmethyl)benzoic acid
CID 166239296
3-[(2-methyloxolan-3-yl)sulfamoylmethyl]benzoic acid
CID 82725233
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
1-[3-(hydroxymethyl)phenyl]-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 113464374
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
CID 61365990
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid?
The IUPAC name of 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid (CID 107416749) is 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid is CC1CCCC1CNS(=O)(=O)Cc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid?
The InChIKey is KIAJYSINMYWCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-4-2-7-14(11)9-16-21(19,20)10-12-5-3-6-13(8-12)15(17)18/h3,5-6,8,11,14,16H,2,4,7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid?
3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid has a molecular weight of 311.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylsulfamoylmethyl]benzoic acid is sourced from PubChem (CID 107416749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).