N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide

C17H16FNO3S — CID 110604230

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C17H16FNO3S/c18-15-7-1-12(2-8-15)11-23(21,22)19-16-9-5-14(6-10-16)17(20)13-3-4-13/h1-2,5-10,13,19H,3-4,11H2
InChIKeyPNDLHNVPCJRJRZ-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.36
Rot. Bonds6

About N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide

N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110604230) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110604230
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1)C1CC1
InChIInChI=1S/C17H16FNO3S/c18-15-7-1-12(2-8-15)11-23(21,22)19-16-9-5-14(6-10-16)17(20)13-3-4-13/h1-2,5-10,13,19H,3-4,11H2
InChIKeyPNDLHNVPCJRJRZ-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110618586
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
CID 43362487
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110612793
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
N-[4-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propanoyl]phenyl]methanesulfonamide
CID 15816994
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135231176

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110604230) is N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide is O=C(c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is PNDLHNVPCJRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-15-7-1-12(2-8-15)11-23(21,22)19-16-9-5-14(6-10-16)17(20)13-3-4-13/h1-2,5-10,13,19H,3-4,11H2.
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 333.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).