N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide

C18H21ClN4O3S — CID 53154522

IUPACN-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)n2CC)o1
InChIInChI=1S/C18H21ClN4O3S/c1-5-15-20-21-18(26-15)16-11(3)17(12(4)23(16)6-2)27(24,25)22-14-9-7-13(19)8-10-14/h7-10,22H,5-6H2,1-4H3
InChIKeyUQCPUFVRNJKIMA-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.19
Rot. Bonds6

About N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide

N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (PubChem CID 53154522) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
PubChem CID53154522
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC NameN-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)n2CC)o1
InChIInChI=1S/C18H21ClN4O3S/c1-5-15-20-21-18(26-15)16-11(3)17(12(4)23(16)6-2)27(24,25)22-14-9-7-13(19)8-10-14/h7-10,22H,5-6H2,1-4H3
InChIKeyUQCPUFVRNJKIMA-UHFFFAOYSA-N
XLogP4.19
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
CID 53154523
N-(4-chlorophenyl)-5-(5-ethyl-1,3,4-oxadiazol-2-yl)furan-2-sulfonamide
CID 53175484
N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154480
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
N-[(2-chloro-4-fluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154464
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 53154492
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154490
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
CID 46933653
5-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-ethylphenyl)furan-2-sulfonamide
CID 53175456
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (CID 53154522) is N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide is CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c(C)n2CC)o1.
What is the InChIKey of N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The InChIKey is UQCPUFVRNJKIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c1-5-15-20-21-18(26-15)16-11(3)17(12(4)23(16)6-2)27(24,25)22-14-9-7-13(19)8-10-14/h7-10,22H,5-6H2,1-4H3.
What are the key properties of N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide has a molecular weight of 408.91 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).