N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide

C17H18ClFN4O3S — CID 53155143

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n(C)c2C)n1
InChIInChI=1S/C17H18ClFN4O3S/c1-5-14-20-17(26-21-14)15-9(2)23(4)10(3)16(15)27(24,25)22-11-6-7-13(19)12(18)8-11/h6-8,22H,5H2,1-4H3
InChIKeyNQWSZBRVHWCYJQ-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.85
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide

N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide (PubChem CID 53155143) has the molecular formula C17H18ClFN4O3S and a molecular weight of 412.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
PubChem CID53155143
Molecular FormulaC17H18ClFN4O3S
Molecular Weight412.87 g/mol
Exact Mass412.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
SMILESCCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n(C)c2C)n1
InChIInChI=1S/C17H18ClFN4O3S/c1-5-14-20-17(26-21-14)15-9(2)23(4)10(3)16(15)27(24,25)22-11-6-7-13(19)12(18)8-11/h6-8,22H,5H2,1-4H3
InChIKeyNQWSZBRVHWCYJQ-UHFFFAOYSA-N
XLogP3.85
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155132
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-(3-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155161
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
N-[4-chloro-2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(2-methoxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 99786603
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-(3-chloro-4-fluorophenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095027
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432776
N-(3-chloro-4-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407312
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035553

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide (CID 53155143) is N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide is CCc1noc(-c2c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n(C)c2C)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide?
The InChIKey is NQWSZBRVHWCYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3S/c1-5-14-20-17(26-21-14)15-9(2)23(4)10(3)16(15)27(24,25)22-11-6-7-13(19)12(18)8-11/h6-8,22H,5H2,1-4H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide has a molecular weight of 412.87 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53155143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).