N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide

C19H22ClFN4O3S — CID 53154550

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3Cl)c(C)n2CC)o1
InChIInChI=1S/C19H22ClFN4O3S/c1-5-16-23-24-19(28-16)17-11(3)18(12(4)25(17)6-2)29(26,27)22-10-13-7-8-14(21)9-15(13)20/h7-9,22H,5-6,10H2,1-4H3
InChIKeyYAEVTLRRQZUVMJ-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.01
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (PubChem CID 53154550) has the molecular formula C19H22ClFN4O3S and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
PubChem CID53154550
Molecular FormulaC19H22ClFN4O3S
Molecular Weight440.93 g/mol
Exact Mass440.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3Cl)c(C)n2CC)o1
InChIInChI=1S/C19H22ClFN4O3S/c1-5-16-23-24-19(28-16)17-11(3)18(12(4)25(17)6-2)29(26,27)22-10-13-7-8-14(21)9-15(13)20/h7-9,22H,5-6,10H2,1-4H3
InChIKeyYAEVTLRRQZUVMJ-UHFFFAOYSA-N
XLogP4.01
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (CID 53154550) is N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccc(F)cc3Cl)c(C)n2CC)o1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The InChIKey is YAEVTLRRQZUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O3S/c1-5-16-23-24-19(28-16)17-11(3)18(12(4)25(17)6-2)29(26,27)22-10-13-7-8-14(21)9-15(13)20/h7-9,22H,5-6,10H2,1-4H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide has a molecular weight of 440.93 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).