1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

C17H15ClFNO3S — CID 15995228

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClFNO3S/c18-13-3-7-15(8-4-13)24(22,23)17(9-10-17)16(21)20-11-12-1-5-14(19)6-2-12/h1-8H,9-11H2,(H,20,21)
InChIKeyUJDYPVKRMKBGSX-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 15995228) has the molecular formula C17H15ClFNO3S and a molecular weight of 367.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID15995228
Molecular FormulaC17H15ClFNO3S
Molecular Weight367.83 g/mol
Exact Mass367.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15ClFNO3S/c18-13-3-7-15(8-4-13)24(22,23)17(9-10-17)16(21)20-11-12-1-5-14(19)6-2-12/h1-8H,9-11H2,(H,20,21)
InChIKeyUJDYPVKRMKBGSX-UHFFFAOYSA-N
XLogP3.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 15995228) is 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is UJDYPVKRMKBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c18-13-3-7-15(8-4-13)24(22,23)17(9-10-17)16(21)20-11-12-1-5-14(19)6-2-12/h1-8H,9-11H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 367.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 15995228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).