2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

C14H18FNO4S — CID 103342290

IUPAC2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-16(9-10-4-2-5-11(15)8-10)21(19,20)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyDTDBNSQELHHHQP-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.84
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid

2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342290) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342290
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-16(9-10-4-2-5-11(15)8-10)21(19,20)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)
InChIKeyDTDBNSQELHHHQP-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342897
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342880
5-[(3-fluorophenyl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 29077645
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342672
N-[[3-(aminomethyl)phenyl]methyl]-N-methylcyclohexanesulfonamide
CID 61065125
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
2-chloro-N-cyclobutyl-N-[(3-fluorophenyl)methyl]acetamide
CID 166407663
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (CID 103342290) is 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is CN(Cc1cccc(F)c1)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is DTDBNSQELHHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-16(9-10-4-2-5-11(15)8-10)21(19,20)13-7-3-6-12(13)14(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).