carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H12F3NO4S — CID 159596379

IUPACcarbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.O=C=O
InChIInChI=1S/C14H12F3NO2S.CO2/c1-18(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15,16)17;2-1-3/h2-10H,1H3;
InChIKeyMKWZXHFAFFHEDJ-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.95
Rot. Bonds3

About carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 159596379) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Namecarbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID159596379
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC Namecarbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.O=C=O
InChIInChI=1S/C14H12F3NO2S.CO2/c1-18(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15,16)17;2-1-3/h2-10H,1H3;
InChIKeyMKWZXHFAFFHEDJ-UHFFFAOYSA-N
XLogP2.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(2H-tetrazol-5-yl)ethyl]phenyl]benzenesulfonamide
CID 70697168
N-(4-bromophenyl)-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 70685342
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
3-chloro-4-methoxy-N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513954
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
CID 156903066
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 159596379) is carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is MKWZXHFAFFHEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S.CO2/c1-18(21(19,20)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(15,16)17;2-1-3/h2-10H,1H3;.
What are the key properties of carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 159596379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).