1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide

C18H17Cl2FN2O4S — CID 100780914

IUPAC1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O4S/c1-27-16-5-4-13(9-14(16)20)22-17(24)18(6-7-18)23-28(25,26)10-11-2-3-12(19)8-15(11)21/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,24)
InChIKeyRUUINDMBMLYSAC-UHFFFAOYSA-N
MW447.32 g/mol
LogP3.73
Rot. Bonds7

About 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide

1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 100780914) has the molecular formula C18H17Cl2FN2O4S and a molecular weight of 447.32 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID100780914
Molecular FormulaC18H17Cl2FN2O4S
Molecular Weight447.32 g/mol
Exact Mass446.03
IUPAC Name1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1Cl
InChIInChI=1S/C18H17Cl2FN2O4S/c1-27-16-5-4-13(9-14(16)20)22-17(24)18(6-7-18)23-28(25,26)10-11-2-3-12(19)8-15(11)21/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,24)
InChIKeyRUUINDMBMLYSAC-UHFFFAOYSA-N
XLogP3.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 100780866
ethyl 2-[4-[[1-[(2,4-difluorophenyl)methylsulfonylamino]cyclopropanecarbonyl]amino]phenoxy]acetate
CID 100780814
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982906
1-N-(3-chloro-4-methoxyphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982684
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
N-(3-chloro-4-methoxyphenyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76919300
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097
N-(3-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 2175101

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide (CID 100780914) is 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(NS(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cc1Cl.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is RUUINDMBMLYSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O4S/c1-27-16-5-4-13(9-14(16)20)22-17(24)18(6-7-18)23-28(25,26)10-11-2-3-12(19)8-15(11)21/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,24).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
1-[(4-chloro-2-fluorophenyl)methylsulfonylamino]-N-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 3.73, 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-(3-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).