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

C19H23ClN4O3S — CID 53154523

IUPACN-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccccc3Cl)c(C)n2CC)o1
InChIInChI=1S/C19H23ClN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-9-7-8-10-15(14)20/h7-10,21H,5-6,11H2,1-4H3
InChIKeyDQJCGBDDMKXWRW-UHFFFAOYSA-N
MW422.94 g/mol
LogP3.87
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (PubChem CID 53154523) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
PubChem CID53154523
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
SMILESCCc1nnc(-c2c(C)c(S(=O)(=O)NCc3ccccc3Cl)c(C)n2CC)o1
InChIInChI=1S/C19H23ClN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-9-7-8-10-15(14)20/h7-10,21H,5-6,11H2,1-4H3
InChIKeyDQJCGBDDMKXWRW-UHFFFAOYSA-N
XLogP3.87
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
CID 53154522
N-[(2-chloro-4-fluorophenyl)methyl]-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154464
N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
CID 54283070
N-[[5-[(2-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 55039546
4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53127316
N-[(2-chlorophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 17016014
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110321600
1-(2-chlorophenyl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanesulfonamide
CID 110318782
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154481
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
1-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319212

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide (CID 53154523) is N-[(2-chlorophenyl)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-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)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)NCc3ccccc3Cl)c(C)n2CC)o1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
The InChIKey is DQJCGBDDMKXWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-5-16-22-23-19(27-16)17-12(3)18(13(4)24(17)6-2)28(25,26)21-11-14-9-7-8-10-15(14)20/h7-10,21H,5-6,11H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide?
N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide has a molecular weight of 422.94 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).