4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide

C15H11ClFN3O3S — CID 141368951

IUPAC4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(S(=O)(=O)c3ccc(F)cc3Cl)c[nH]2)CC1
InChIInChI=1S/C15H11ClFN3O3S/c16-11-5-9(17)1-2-13(11)24(22,23)10-6-12(19-7-10)14(21)20-15(8-18)3-4-15/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeyIECORFZOKAEMPC-UHFFFAOYSA-N
MW367.79 g/mol
LogP2.43
Rot. Bonds4

About 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide

4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide (PubChem CID 141368951) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
PubChem CID141368951
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(S(=O)(=O)c3ccc(F)cc3Cl)c[nH]2)CC1
InChIInChI=1S/C15H11ClFN3O3S/c16-11-5-9(17)1-2-13(11)24(22,23)10-6-12(19-7-10)14(21)20-15(8-18)3-4-15/h1-2,5-7,19H,3-4H2,(H,20,21)
InChIKeyIECORFZOKAEMPC-UHFFFAOYSA-N
XLogP2.43
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)cyclopentane-1-carboxamide
CID 59619433
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide
CID 130618816
N-(1-cyanocyclopropyl)-4-(2-methoxyphenyl)sulfanyl-1H-pyrrole-2-carboxamide
CID 141370207
(2S,4R)-4-(2-chloro-4-fluorophenyl)sulfonyl-1-[2-(5-chloro-3-fluoro-2-pyridinyl)azetidine-2-carbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide
CID 71680051
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
(2S,4R)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(1-cyanocyclopropyl)-4-(2,4-difluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 59543749
N-(1-cyanocyclobutyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 75427047
N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
CID 16780201
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522594

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide (CID 141368951) is 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide is N#CC1(NC(=O)c2cc(S(=O)(=O)c3ccc(F)cc3Cl)c[nH]2)CC1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IECORFZOKAEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c16-11-5-9(17)1-2-13(11)24(22,23)10-6-12(19-7-10)14(21)20-15(8-18)3-4-15/h1-2,5-7,19H,3-4H2,(H,20,21).
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide?
4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 367.79 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfonyl-N-(1-cyanocyclopropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141368951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).