1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H18ClFN2O4S — CID 100780866

IUPAC1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-26-15-6-4-14(5-7-15)21-17(23)18(8-9-18)22-27(24,25)11-12-2-3-13(19)10-16(12)20/h2-7,10,22H,8-9,11H2,1H3,(H,21,23)
InChIKeyXWMWMNVYDFVXTB-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.08
Rot. Bonds7

About 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide

1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 100780866) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID100780866
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-26-15-6-4-14(5-7-15)21-17(23)18(8-9-18)22-27(24,25)11-12-2-3-13(19)10-16(12)20/h2-7,10,22H,8-9,11H2,1H3,(H,21,23)
InChIKeyXWMWMNVYDFVXTB-UHFFFAOYSA-N
XLogP3.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 100780914
ethyl 2-[4-[[1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]cyclopropanecarbonyl]amino]phenoxy]acetate
CID 100780878
1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(6-prop-2-enoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100780901
ethyl 2-[4-[[1-[(2,4-difluorophenyl)methylsulfonylamino]cyclopropanecarbonyl]amino]phenoxy]acetate
CID 100780814
1-[(2,4-difluorophenyl)methylsulfonylamino]-N-[4-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxamide
CID 100780860
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-[(2-fluoro-4-methoxyphenyl)methylamino]cyclopropane-1-carboxylic acid
CID 102877515

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 100780866) is 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XWMWMNVYDFVXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c1-26-15-6-4-14(5-7-15)21-17(23)18(8-9-18)22-27(24,25)11-12-2-3-13(19)10-16(12)20/h2-7,10,22H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide?
1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100780866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).