5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide

C12H11ClN2O2S2 — CID 110723168

IUPAC5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(c1ccccn1)C1CC1
InChIInChI=1S/C12H11ClN2O2S2/c13-10-6-7-12(18-10)19(16,17)15(9-4-5-9)11-3-1-2-8-14-11/h1-3,6-9H,4-5H2
InChIKeyDLUGMLYVJVCBLX-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide

5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 110723168) has the molecular formula C12H11ClN2O2S2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID110723168
Molecular FormulaC12H11ClN2O2S2
Molecular Weight314.82 g/mol
Exact Mass314.00
IUPAC Name5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=S(=O)(c1ccc(Cl)s1)N(c1ccccn1)C1CC1
InChIInChI=1S/C12H11ClN2O2S2/c13-10-6-7-12(18-10)19(16,17)15(9-4-5-9)11-3-1-2-8-14-11/h1-3,6-9H,4-5H2
InChIKeyDLUGMLYVJVCBLX-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide (CID 110723168) is 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide is O=S(=O)(c1ccc(Cl)s1)N(c1ccccn1)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is DLUGMLYVJVCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S2/c13-10-6-7-12(18-10)19(16,17)15(9-4-5-9)11-3-1-2-8-14-11/h1-3,6-9H,4-5H2.
What are the key properties of 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide?
5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 314.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 110723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).