5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide

C14H12ClN3O2S3 — CID 5310416

IUPAC5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O2S3/c15-12-3-4-13(22-12)23(19,20)17-7-5-11-9-21-14(18-11)10-2-1-6-16-8-10/h1-4,6,8-9,17H,5,7H2
InChIKeyPAKABDYFIWAOCV-UHFFFAOYSA-N
MW385.92 g/mol
LogP3.44
Rot. Bonds6

About 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 5310416) has the molecular formula C14H12ClN3O2S3 and a molecular weight of 385.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID5310416
Molecular FormulaC14H12ClN3O2S3
Molecular Weight385.92 g/mol
Exact Mass384.98
IUPAC Name5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O2S3/c15-12-3-4-13(22-12)23(19,20)17-7-5-11-9-21-14(18-11)10-2-1-6-16-8-10/h1-4,6,8-9,17H,5,7H2
InChIKeyPAKABDYFIWAOCV-UHFFFAOYSA-N
XLogP3.44
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 5310416) is 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PAKABDYFIWAOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S3/c15-12-3-4-13(22-12)23(19,20)17-7-5-11-9-21-14(18-11)10-2-1-6-16-8-10/h1-4,6,8-9,17H,5,7H2.
What are the key properties of 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 385.92 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).