1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide

C15H16F3N3O4S — CID 39984860

IUPAC1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O4S/c1-21-10-2-3-13(21)14(22)19-8-9-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18/h2-7,10,20H,8-9H2,1H3,(H,19,22)
InChIKeyUFYANNMQTSEXSK-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.63
Rot. Bonds7

About 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide (PubChem CID 39984860) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide
PubChem CID39984860
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC Name1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O4S/c1-21-10-2-3-13(21)14(22)19-8-9-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18/h2-7,10,20H,8-9H2,1H3,(H,19,22)
InChIKeyUFYANNMQTSEXSK-UHFFFAOYSA-N
XLogP1.63
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573645
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 2629196
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide (CID 39984860) is 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide?
The InChIKey is UFYANNMQTSEXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-21-10-2-3-13(21)14(22)19-8-9-20-26(23,24)12-6-4-11(5-7-12)25-15(16,17)18/h2-7,10,20H,8-9H2,1H3,(H,19,22).
What are the key properties of 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 39984860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).