2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide

C17H19N3O3S — CID 166205095

IUPAC2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C(=O)N2CC=C(c3ccccc3)C2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C17H19N3O3S/c1-11-15(19-12(2)16(11)24(18,22)23)17(21)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-8,19H,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyRPXLMXDKHPZZFZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.82
Rot. Bonds3

About 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide

2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 166205095) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID166205095
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1[nH]c(C(=O)N2CC=C(c3ccccc3)C2)c(C)c1S(N)(=O)=O
InChIInChI=1S/C17H19N3O3S/c1-11-15(19-12(2)16(11)24(18,22)23)17(21)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-8,19H,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyRPXLMXDKHPZZFZ-UHFFFAOYSA-N
XLogP1.82
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17396869
ethyl 3,5-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
CID 53025954
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167974884
(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 154852634
(4,5-difluoro-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 166205152
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808
(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
3,5-dimethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 106313502
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 166205095) is 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1[nH]c(C(=O)N2CC=C(c3ccccc3)C2)c(C)c1S(N)(=O)=O.
What is the InChIKey of 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is RPXLMXDKHPZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-15(19-12(2)16(11)24(18,22)23)17(21)20-9-8-14(10-20)13-6-4-3-5-7-13/h3-8,19H,9-10H2,1-2H3,(H2,18,22,23).
What are the key properties of 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide?
2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166205095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).