N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide

C15H21ClN2O3S — CID 126830291

IUPACN-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C2CC(Cl)C2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-2-3-7-17-22(20,21)14-6-4-5-13(10-14)18-15(19)11-8-12(16)9-11/h4-6,10-12,17H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyBEHJNUYBNCZASP-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide

N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide (PubChem CID 126830291) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
PubChem CID126830291
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C2CC(Cl)C2)c1
InChIInChI=1S/C15H21ClN2O3S/c1-2-3-7-17-22(20,21)14-6-4-5-13(10-14)18-15(19)11-8-12(16)9-11/h4-6,10-12,17H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyBEHJNUYBNCZASP-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[[3-(butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
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N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
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N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
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N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide (CID 126830291) is N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)C2CC(Cl)C2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide?
The InChIKey is BEHJNUYBNCZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-3-7-17-22(20,21)14-6-4-5-13(10-14)18-15(19)11-8-12(16)9-11/h4-6,10-12,17H,2-3,7-9H2,1H3,(H,18,19).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide?
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide is sourced from PubChem (CID 126830291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).