N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

C15H23N3O3S — CID 2991195

IUPACN-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-3-10-16-22(20,21)14-8-6-13(7-9-14)17-15(19)18-11-4-5-12-18/h6-9,16H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyNRWQBTMFDJXGPA-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.39
Rot. Bonds6

About N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide

N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 2991195) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID2991195
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-2-3-10-16-22(20,21)14-8-6-13(7-9-14)17-15(19)18-11-4-5-12-18/h6-9,16H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyNRWQBTMFDJXGPA-UHFFFAOYSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-[4-(prop-2-enylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2990833
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-(4-sulfamoylphenyl)azocane-1-carboxamide
CID 17414007
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-[4-(butylsulfamoyl)phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 17309496
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide (CID 2991195) is N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is CCCCNS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NRWQBTMFDJXGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-3-10-16-22(20,21)14-8-6-13(7-9-14)17-15(19)18-11-4-5-12-18/h6-9,16H,2-5,10-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 2991195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).