N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H23ClFN3O3S — CID 119798869

IUPACN-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCNC2)ccc1F.Cl
InChIInChI=1S/C15H22FN3O3S.ClH/c1-15(2,3)19-23(21,22)13-8-11(4-5-12(13)16)18-14(20)10-6-7-17-9-10;/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,20);1H
InChIKeyYIRRKPVJAXZZAF-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.87
Rot. Bonds4

About N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119798869) has the molecular formula C15H23ClFN3O3S and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119798869
Molecular FormulaC15H23ClFN3O3S
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCNC2)ccc1F.Cl
InChIInChI=1S/C15H22FN3O3S.ClH/c1-15(2,3)19-23(21,22)13-8-11(4-5-12(13)16)18-14(20)10-6-7-17-9-10;/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,20);1H
InChIKeyYIRRKPVJAXZZAF-UHFFFAOYSA-N
XLogP1.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119270691
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119675216
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119711147
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119265800

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119798869) is N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride is CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CCNC2)ccc1F.Cl.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YIRRKPVJAXZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S.ClH/c1-15(2,3)19-23(21,22)13-8-11(4-5-12(13)16)18-14(20)10-6-7-17-9-10;/h4-5,8,10,17,19H,6-7,9H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119798869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).