N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

C17H13F3N2O2S — CID 3780778

IUPACN-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)13-8-9-16(22-10-4-5-11-22)15(12-13)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H
InChIKeyWMAJSHXGPTZRKA-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.30
Rot. Bonds4

About N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3780778) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3780778
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccc1)c1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)13-8-9-16(22-10-4-5-11-22)15(12-13)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H
InChIKeyWMAJSHXGPTZRKA-UHFFFAOYSA-N
XLogP4.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 56556507
4-cyclopropyl-3-[[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 155271369
N-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 134312264
3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 45464518
4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 8844382
3-cyano-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8844377
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16771222
N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141001992
methyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 26489724
3-fluoro-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860766

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3780778) is N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccc1)c1ccccc1.
What is the InChIKey of N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is WMAJSHXGPTZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)13-8-9-16(22-10-4-5-11-22)15(12-13)21-25(23,24)14-6-2-1-3-7-14/h1-12,21H.
What are the key properties of N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 366.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3780778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).