N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide

C15H10ClF2N3O2S — CID 167206901

IUPACN-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1
InChIInChI=1S/C15H10ClF2N3O2S/c16-10-6-12(18)14(7-11(10)17)21-24(22,23)9-5-15(20-8-9)13-3-1-2-4-19-13/h1-8,20-21H
InChIKeySBVGGWXKVFGMKV-UHFFFAOYSA-N
MW369.78 g/mol
LogP3.81
Rot. Bonds4

About N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide

N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide (PubChem CID 167206901) has the molecular formula C15H10ClF2N3O2S and a molecular weight of 369.78 g/mol. Its IUPAC name is N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
PubChem CID167206901
Molecular FormulaC15H10ClF2N3O2S
Molecular Weight369.78 g/mol
Exact Mass369.02
IUPAC NameN-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1
InChIInChI=1S/C15H10ClF2N3O2S/c16-10-6-12(18)14(7-11(10)17)21-24(22,23)9-5-15(20-8-9)13-3-1-2-4-19-13/h1-8,20-21H
InChIKeySBVGGWXKVFGMKV-UHFFFAOYSA-N
XLogP3.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide (CID 167206901) is N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(Cl)cc1F)c1c[nH]c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is SBVGGWXKVFGMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O2S/c16-10-6-12(18)14(7-11(10)17)21-24(22,23)9-5-15(20-8-9)13-3-1-2-4-19-13/h1-8,20-21H.
What are the key properties of N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide?
N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 369.78 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-difluorophenyl)-5-pyridin-2-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 167206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).