5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide

C17H15ClN2O4S2 — CID 50778768

IUPAC5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide
SMILESO=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN2O4S2/c18-13-7-8-14(25-13)26(22,23)19-15-16(20-9-3-4-10-20)11-5-1-2-6-12(11)24-17(15)21/h1-2,5-8,19H,3-4,9-10H2
InChIKeyBRLVQTCDYMKEMM-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.91
Rot. Bonds4

About 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide

5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide (PubChem CID 50778768) has the molecular formula C17H15ClN2O4S2 and a molecular weight of 410.90 g/mol. Its IUPAC name is 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide
PubChem CID50778768
Molecular FormulaC17H15ClN2O4S2
Molecular Weight410.90 g/mol
Exact Mass410.02
IUPAC Name5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide
SMILESO=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H15ClN2O4S2/c18-13-7-8-14(25-13)26(22,23)19-15-16(20-9-3-4-10-20)11-5-1-2-6-12(11)24-17(15)21/h1-2,5-8,19H,3-4,9-10H2
InChIKeyBRLVQTCDYMKEMM-UHFFFAOYSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide (CID 50778768) is 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide is O=c1oc2ccccc2c(N2CCCC2)c1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide?
The InChIKey is BRLVQTCDYMKEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S2/c18-13-7-8-14(25-13)26(22,23)19-15-16(20-9-3-4-10-20)11-5-1-2-6-12(11)24-17(15)21/h1-2,5-8,19H,3-4,9-10H2.
What are the key properties of 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide has a molecular weight of 410.90 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).