5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide

C11H10ClN3O4S2 — CID 112729910

IUPAC5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCCc2cccnc2)sc1Cl
InChIInChI=1S/C11H10ClN3O4S2/c12-11-9(15(16)17)6-10(20-11)21(18,19)14-5-3-8-2-1-4-13-7-8/h1-2,4,6-7,14H,3,5H2
InChIKeyAHLWYNCQWRRLTR-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.23
Rot. Bonds6

About 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide (PubChem CID 112729910) has the molecular formula C11H10ClN3O4S2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
PubChem CID112729910
Molecular FormulaC11H10ClN3O4S2
Molecular Weight347.81 g/mol
Exact Mass346.98
IUPAC Name5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)NCCc2cccnc2)sc1Cl
InChIInChI=1S/C11H10ClN3O4S2/c12-11-9(15(16)17)6-10(20-11)21(18,19)14-5-3-8-2-1-4-13-7-8/h1-2,4,6-7,14H,3,5H2
InChIKeyAHLWYNCQWRRLTR-UHFFFAOYSA-N
XLogP2.23
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide (CID 112729910) is 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)NCCc2cccnc2)sc1Cl.
What is the InChIKey of 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
The InChIKey is AHLWYNCQWRRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S2/c12-11-9(15(16)17)6-10(20-11)21(18,19)14-5-3-8-2-1-4-13-7-8/h1-2,4,6-7,14H,3,5H2.
What are the key properties of 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide has a molecular weight of 347.81 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 112729910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).