1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide

C16H13ClFN3O2S — CID 70139614

IUPAC1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccn2-c2ncccc2Cl)ccc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-11-10-12(6-7-14(11)18)20-24(22,23)15-5-3-9-21(15)16-13(17)4-2-8-19-16/h2-10,20H,1H3
InChIKeyPPZQGHMNAROVCP-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.77
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide

1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide (PubChem CID 70139614) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
PubChem CID70139614
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccn2-c2ncccc2Cl)ccc1F
InChIInChI=1S/C16H13ClFN3O2S/c1-11-10-12(6-7-14(11)18)20-24(22,23)15-5-3-9-21(15)16-13(17)4-2-8-19-16/h2-10,20H,1H3
InChIKeyPPZQGHMNAROVCP-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide (CID 70139614) is 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cccn2-c2ncccc2Cl)ccc1F.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
The InChIKey is PPZQGHMNAROVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-11-10-12(6-7-14(11)18)20-24(22,23)15-5-3-9-21(15)16-13(17)4-2-8-19-16/h2-10,20H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide?
1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide has a molecular weight of 365.82 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 70139614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).