N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide

C16H12ClN3O4S — CID 70138660

IUPACN-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C16H12ClN3O4S/c17-12-3-1-7-18-16(12)20-8-2-4-15(20)25(21,22)19-11-5-6-13-14(9-11)24-10-23-13/h1-9,19H,10H2
InChIKeyOUTRGPMAWYMGFZ-UHFFFAOYSA-N
MW377.81 g/mol
LogP3.06
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide

N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide (PubChem CID 70138660) has the molecular formula C16H12ClN3O4S and a molecular weight of 377.81 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide
PubChem CID70138660
Molecular FormulaC16H12ClN3O4S
Molecular Weight377.81 g/mol
Exact Mass377.02
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1cccn1-c1ncccc1Cl
InChIInChI=1S/C16H12ClN3O4S/c17-12-3-1-7-18-16(12)20-8-2-4-15(20)25(21,22)19-11-5-6-13-14(9-11)24-10-23-13/h1-9,19H,10H2
InChIKeyOUTRGPMAWYMGFZ-UHFFFAOYSA-N
XLogP3.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide (CID 70138660) is N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1cccn1-c1ncccc1Cl.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide?
The InChIKey is OUTRGPMAWYMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4S/c17-12-3-1-7-18-16(12)20-8-2-4-15(20)25(21,22)19-11-5-6-13-14(9-11)24-10-23-13/h1-9,19H,10H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide has a molecular weight of 377.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-pyridinyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 70138660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).