N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

C21H23N3O2S — CID 90557042

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-14-10-15(2)21(16(3)11-14)27(25,26)23-18-7-4-6-17(12-18)19-13-22-20-8-5-9-24(19)20/h4,6-7,10-13,23H,5,8-9H2,1-3H3
InChIKeyBZCFLOGONOCEFW-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.22
Rot. Bonds4

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 90557042) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID90557042
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-14-10-15(2)21(16(3)11-14)27(25,26)23-18-7-4-6-17(12-18)19-13-22-20-8-5-9-24(19)20/h4,6-7,10-13,23H,5,8-9H2,1-3H3
InChIKeyBZCFLOGONOCEFW-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 90557048
4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzenesulfonamide
CID 90557039
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]cyclohexanesulfonamide
CID 90557087
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 90557084
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
2,5-dichloro-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-3,6-dimethylbenzenesulfonamide
CID 24663037
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
CID 90557364
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90556814
2,6-difluoro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzenesulfonamide
CID 2648339
2-(4-chlorophenyl)-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]acetamide
CID 90556927

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide (CID 90557042) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c(C)c1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is BZCFLOGONOCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-10-15(2)21(16(3)11-14)27(25,26)23-18-7-4-6-17(12-18)19-13-22-20-8-5-9-24(19)20/h4,6-7,10-13,23H,5,8-9H2,1-3H3.
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 90557042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).