1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H19FN2O5S — CID 119259392

IUPAC1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H19FN2O5S/c17-16(15(21)22)6-7-19(10-16)14(20)12-2-1-3-13(8-12)25(23,24)18-9-11-4-5-11/h1-3,8,11,18H,4-7,9-10H2,(H,21,22)
InChIKeyJIGFXWQTXQJKNB-UHFFFAOYSA-N
MW370.40 g/mol
LogP1.01
Rot. Bonds6

About 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259392) has the molecular formula C16H19FN2O5S and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259392
Molecular FormulaC16H19FN2O5S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H19FN2O5S/c17-16(15(21)22)6-7-19(10-16)14(20)12-2-1-3-13(8-12)25(23,24)18-9-11-4-5-11/h1-3,8,11,18H,4-7,9-10H2,(H,21,22)
InChIKeyJIGFXWQTXQJKNB-UHFFFAOYSA-N
XLogP1.01
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259135
3-(4-aminopiperidine-1-carbonyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 119376148
N-(cyclopropylmethyl)-3-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563230
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(cyclopropylmethyl)benzenesulfonamide
CID 119486514
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 136519074
N-(cyclopropylmethyl)-3-(3-methyl-4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 126817604
3-(azetidine-1-carbonyl)-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 99936530
2-[4-[3-(cyclopropylmethylsulfamoyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210899
N-(cyclopropylmethyl)-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37023245
N-(cyclopropylmethyl)-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 37002112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119259392) is 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is JIGFXWQTXQJKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5S/c17-16(15(21)22)6-7-19(10-16)14(20)12-2-1-3-13(8-12)25(23,24)18-9-11-4-5-11/h1-3,8,11,18H,4-7,9-10H2,(H,21,22).
What are the key properties of 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 370.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).