1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide

C21H22ClFN2O4S — CID 92880224

IUPAC1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C21H22ClFN2O4S/c22-18-12-17(7-8-19(18)23)30(27,28)25-15-5-3-14(4-6-15)21(9-10-21)20(26)24-13-16-2-1-11-29-16/h3-8,12,16,25H,1-2,9-11,13H2,(H,24,26)/t16-/m1/s1
InChIKeyFQENMAIRARNBBI-MRXNPFEDSA-N
MW452.94 g/mol
LogP3.61
Rot. Bonds7

About 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide

1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 92880224) has the molecular formula C21H22ClFN2O4S and a molecular weight of 452.94 g/mol. Its IUPAC name is 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID92880224
Molecular FormulaC21H22ClFN2O4S
Molecular Weight452.94 g/mol
Exact Mass452.10
IUPAC Name1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1
InChIInChI=1S/C21H22ClFN2O4S/c22-18-12-17(7-8-19(18)23)30(27,28)25-15-5-3-14(4-6-15)21(9-10-21)20(26)24-13-16-2-1-11-29-16/h3-8,12,16,25H,1-2,9-11,13H2,(H,24,26)/t16-/m1/s1
InChIKeyFQENMAIRARNBBI-MRXNPFEDSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 50827034
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 46378095
N-(oxolan-2-ylmethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378114
1-[4-(benzenesulfonamido)phenyl]-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 46384143
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822271
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061805
N-butyl-1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822427
N-[[(2R)-oxolan-2-yl]methyl]-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 92880194
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062380

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide (CID 92880224) is 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide is O=C(NC[C@H]1CCCO1)C1(c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1.
What is the InChIKey of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FQENMAIRARNBBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22ClFN2O4S/c22-18-12-17(7-8-19(18)23)30(27,28)25-15-5-3-14(4-6-15)21(9-10-21)20(26)24-13-16-2-1-11-29-16/h3-8,12,16,25H,1-2,9-11,13H2,(H,24,26)/t16-/m1/s1.
What are the key properties of 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide?
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 92880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).