N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide

C16H17BrN4O3S — CID 53154813

IUPACN-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(S(=O)(=O)Nc3ccc(Br)cc3)c(C)n(C)c2C)o1
InChIInChI=1S/C16H17BrN4O3S/c1-9-14(16-19-18-11(3)24-16)15(10(2)21(9)4)25(22,23)20-13-7-5-12(17)6-8-13/h5-8,20H,1-4H3
InChIKeyYDTZXBYHALBKNI-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.56
Rot. Bonds4

About N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide

N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53154813) has the molecular formula C16H17BrN4O3S and a molecular weight of 425.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53154813
Molecular FormulaC16H17BrN4O3S
Molecular Weight425.31 g/mol
Exact Mass424.02
IUPAC NameN-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1nnc(-c2c(S(=O)(=O)Nc3ccc(Br)cc3)c(C)n(C)c2C)o1
InChIInChI=1S/C16H17BrN4O3S/c1-9-14(16-19-18-11(3)24-16)15(10(2)21(9)4)25(22,23)20-13-7-5-12(17)6-8-13/h5-8,20H,1-4H3
InChIKeyYDTZXBYHALBKNI-UHFFFAOYSA-N
XLogP3.56
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrole-3-sulfonamide
CID 53154873
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-(4-fluorophenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155132
N-(1-benzylpiperidin-4-yl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide
CID 53154860
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1,2,5-trimethylpyrrol-3-yl]-5-methyl-1,3,4-oxadiazole
CID 53154887
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,3-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154925
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(2,5-dimethylphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53154926
5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenylfuran-2-sulfonamide
CID 53175453
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 53154492
N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155143
N-(4-chlorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1,2,4-trimethylpyrrole-3-sulfonamide
CID 53154480

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide (CID 53154813) is N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide is Cc1nnc(-c2c(S(=O)(=O)Nc3ccc(Br)cc3)c(C)n(C)c2C)o1.
What is the InChIKey of N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is YDTZXBYHALBKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3S/c1-9-14(16-19-18-11(3)24-16)15(10(2)21(9)4)25(22,23)20-13-7-5-12(17)6-8-13/h5-8,20H,1-4H3.
What are the key properties of N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide?
N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 425.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,2,5-trimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53154813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).