N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide

C19H21FN2O3S — CID 47067287

IUPACN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)C1CCC1
InChIInChI=1S/C19H21FN2O3S/c20-17-8-1-4-14(10-17)13-22-26(24,25)18-9-2-5-15(11-18)12-21-19(23)16-6-3-7-16/h1-2,4-5,8-11,16,22H,3,6-7,12-13H2,(H,21,23)
InChIKeyGZEBGHZKRJWYCS-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds7

About N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide

N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide (PubChem CID 47067287) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
PubChem CID47067287
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)C1CCC1
InChIInChI=1S/C19H21FN2O3S/c20-17-8-1-4-14(10-17)13-22-26(24,25)18-9-2-5-15(11-18)12-21-19(23)16-6-3-7-16/h1-2,4-5,8-11,16,22H,3,6-7,12-13H2,(H,21,23)
InChIKeyGZEBGHZKRJWYCS-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125456
1-cyclopentyl-3-ethyl-2-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 110992232
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide (CID 47067287) is N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide is O=C(NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)C1CCC1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is GZEBGHZKRJWYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-8-1-4-14(10-17)13-22-26(24,25)18-9-2-5-15(11-18)12-21-19(23)16-6-3-7-16/h1-2,4-5,8-11,16,22H,3,6-7,12-13H2,(H,21,23).
What are the key properties of N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide?
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 376.45 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-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 47067287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).