N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide

C18H19ClN4O3S — CID 53154480

IUPACN-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(C)c1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H19ClN4O3S/c1-10-15(18-21-20-17(26-18)12-4-5-12)23(3)11(2)16(10)27(24,25)22-14-8-6-13(19)7-9-14/h6-9,12,22H,4-5H2,1-3H3
InChIKeyHKCITVJBPAECNV-UHFFFAOYSA-N
MW406.90 g/mol
LogP4.02
Rot. Bonds5

About N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide

N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide (PubChem CID 53154480) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
PubChem CID53154480
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC NameN-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(C)c1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H19ClN4O3S/c1-10-15(18-21-20-17(26-18)12-4-5-12)23(3)11(2)16(10)27(24,25)22-14-8-6-13(19)7-9-14/h6-9,12,22H,4-5H2,1-3H3
InChIKeyHKCITVJBPAECNV-UHFFFAOYSA-N
XLogP4.02
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 53154492
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154490
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-ethylphenyl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154481
N-(4-chlorophenyl)-1-ethyl-5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,4-dimethylpyrrole-3-sulfonamide
CID 53154522
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-1,2,4-trimethylpyrrole-3-sulfonamide
CID 95098200
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154925
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(4-fluoro-3-methylphenyl)furan-2-sulfonamide
CID 53175598
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154926
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylphenyl)furan-2-sulfonamide
CID 53175564
N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2-fluoro-4-methylphenyl)furan-2-sulfonamide
CID 53175599

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide (CID 53154480) is N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n(C)c1-c1nnc(C2CC2)o1.
What is the InChIKey of N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
The InChIKey is HKCITVJBPAECNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-10-15(18-21-20-17(26-18)12-4-5-12)23(3)11(2)16(10)27(24,25)22-14-8-6-13(19)7-9-14/h6-9,12,22H,4-5H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide?
N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide has a molecular weight of 406.90 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 53154480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).