1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C21H22F4N2O5S — CID 146061867

IUPAC1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21FN2O3S.C2HF3O2/c1-13(2)21-18(23)19(11-12-19)14-7-9-15(10-8-14)22-26(24,25)17-6-4-3-5-16(17)20;3-2(4,5)1(6)7/h3-10,13,22H,11-12H2,1-2H3,(H,21,23);(H,6,7)
InChIKeyHCJBZEGDZFEKGX-UHFFFAOYSA-N
MW490.48 g/mol
LogP3.82
Rot. Bonds6

About 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146061867) has the molecular formula C21H22F4N2O5S and a molecular weight of 490.48 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146061867
Molecular FormulaC21H22F4N2O5S
Molecular Weight490.48 g/mol
Exact Mass490.12
IUPAC Name1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21FN2O3S.C2HF3O2/c1-13(2)21-18(23)19(11-12-19)14-7-9-15(10-8-14)22-26(24,25)17-6-4-3-5-16(17)20;3-2(4,5)1(6)7/h3-10,13,22H,11-12H2,1-2H3,(H,21,23);(H,6,7)
InChIKeyHCJBZEGDZFEKGX-UHFFFAOYSA-N
XLogP3.82
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061919
N-butan-2-yl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061912
1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 50822139
1-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061864
1-[4-(benzenesulfonamido)phenyl]-N-butan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061902
N-butan-2-yl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061908
N-butan-2-yl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061907
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-ethylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062083
N-butan-2-yl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061910
N-butan-2-yl-1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061924
N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 146061867) is 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccccc3F)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HCJBZEGDZFEKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S.C2HF3O2/c1-13(2)21-18(23)19(11-12-19)14-7-9-15(10-8-14)22-26(24,25)17-6-4-3-5-16(17)20;3-2(4,5)1(6)7/h3-10,13,22H,11-12H2,1-2H3,(H,21,23);(H,6,7).
What are the key properties of 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 490.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-propan-2-ylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146061867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).