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

C20H21N3O2S — CID 90557048

IUPACN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c1
InChIInChI=1S/C20H21N3O2S/c1-14-8-9-15(2)19(11-14)26(24,25)22-17-6-3-5-16(12-17)18-13-21-20-7-4-10-23(18)20/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3
InChIKeyOPAIXWCRUNRVEV-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.91
Rot. Bonds4

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

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 90557048) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID90557048
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c1
InChIInChI=1S/C20H21N3O2S/c1-14-8-9-15(2)19(11-14)26(24,25)22-17-6-3-5-16(12-17)18-13-21-20-7-4-10-23(18)20/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3
InChIKeyOPAIXWCRUNRVEV-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.91
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]-2,4,6-trimethylbenzenesulfonamide
CID 90557042
4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzenesulfonamide
CID 90557039
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]cyclohexanesulfonamide
CID 90557087
1-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 90557012
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-phenylmethanesulfonamide
CID 71797953
5-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]-2-methylbenzenesulfonamide
CID 24663048
2,5-dimethyl-N-[3-(1,3-thiazol-2-yl)phenyl]benzenesulfonamide
CID 171822730
3-[[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 24654087
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
(E)-N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90557421
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7483043

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 90557048) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c1.
What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OPAIXWCRUNRVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-8-9-15(2)19(11-14)26(24,25)22-17-6-3-5-16(12-17)18-13-21-20-7-4-10-23(18)20/h3,5-6,8-9,11-13,22H,4,7,10H2,1-2H3.
What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.91, 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 90557048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).