1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C14H11F3N2O4S — CID 1070571

IUPAC1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)18-24(22,23)9-10-4-6-13(7-5-10)19(20)21/h1-8,18H,9H2
InChIKeyLNUDNZBHOGKEFB-UHFFFAOYSA-N
MW360.31 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 1070571) has the molecular formula C14H11F3N2O4S and a molecular weight of 360.31 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID1070571
Molecular FormulaC14H11F3N2O4S
Molecular Weight360.31 g/mol
Exact Mass360.04
IUPAC Name1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)18-24(22,23)9-10-4-6-13(7-5-10)19(20)21/h1-8,18H,9H2
InChIKeyLNUDNZBHOGKEFB-UHFFFAOYSA-N
XLogP3.56
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
(3-nitrophenyl) N-[3-(trifluoromethyl)phenyl]sulfamate
CID 53297684
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide
CID 29279096
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
methane;1-nitro-3-(trifluoromethyl)benzene;N-[3-(trifluoromethyl)phenyl]hydroxylamine
CID 158456417
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
N-(5-nitro-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 174438257
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
CID 9235026
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7770386
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 1070571) is 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is O=[N+]([O-])c1ccc(CS(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is LNUDNZBHOGKEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O4S/c15-14(16,17)11-2-1-3-12(8-11)18-24(22,23)9-10-4-6-13(7-5-10)19(20)21/h1-8,18H,9H2.
What are the key properties of 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 360.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1070571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).