1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide

C18H20FN3O3S — CID 119731455

IUPAC1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-15-5-1-3-13(9-15)12-22-26(24,25)16-6-2-4-14(10-16)11-21-17(23)18(20)7-8-18/h1-6,9-10,22H,7-8,11-12,20H2,(H,21,23)
InChIKeyPAOIWCVZZILHML-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.41
Rot. Bonds7

About 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119731455) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID119731455
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1
InChIInChI=1S/C18H20FN3O3S/c19-15-5-1-3-13(9-15)12-22-26(24,25)16-6-2-4-14(10-16)11-21-17(23)18(20)7-8-18/h1-6,9-10,22H,7-8,11-12,20H2,(H,21,23)
InChIKeyPAOIWCVZZILHML-UHFFFAOYSA-N
XLogP1.41
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclobutanecarboxamide
CID 47067287
3-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 55946410
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119731459
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
1-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-methyl-3-propan-2-ylguanidine
CID 111125456
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 60552907
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55946409
1-carbamothioyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592746
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide (CID 119731455) is 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is PAOIWCVZZILHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-15-5-1-3-13(9-15)12-22-26(24,25)16-6-2-4-14(10-16)11-21-17(23)18(20)7-8-18/h1-6,9-10,22H,7-8,11-12,20H2,(H,21,23).
What are the key properties of 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119731455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).