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

C19H19N3O3S — CID 90557364

IUPACN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-16-8-10-17(11-9-16)26(23,24)21-15-6-4-14(5-7-15)18-13-20-19-3-2-12-22(18)19/h4-11,13,21H,2-3,12H2,1H3
InChIKeyLQQLBWDAOWVIHA-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.31
Rot. Bonds5

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

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 90557364) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID90557364
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1
InChIInChI=1S/C19H19N3O3S/c1-25-16-8-10-17(11-9-16)26(23,24)21-15-6-4-14(5-7-15)18-13-20-19-3-2-12-22(18)19/h4-11,13,21H,2-3,12H2,1H3
InChIKeyLQQLBWDAOWVIHA-UHFFFAOYSA-N
XLogP3.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90557396
4-bromo-N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]benzenesulfonamide
CID 90557039
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 90557220
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90557243
1-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-3-(2-methoxyethyl)urea
CID 90557353
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688314
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide (CID 90557364) is N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3cnc4n3CCC4)cc2)cc1.
What is the InChIKey of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is LQQLBWDAOWVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-16-8-10-17(11-9-16)26(23,24)21-15-6-4-14(5-7-15)18-13-20-19-3-2-12-22(18)19/h4-11,13,21H,2-3,12H2,1H3.
What are the key properties of N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90557364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).