2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide

C11H10ClN3O3S3 — CID 61052007

IUPAC2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10ClN3O3S3/c12-11-14-5-10(20-11)21(17,18)15-7-3-1-2-4-8(7)19-6-9(13)16/h1-5,15H,6H2,(H2,13,16)
InChIKeyZNUGQPZTIQECLZ-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 61052007) has the molecular formula C11H10ClN3O3S3 and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID61052007
Molecular FormulaC11H10ClN3O3S3
Molecular Weight363.87 g/mol
Exact Mass362.96
IUPAC Name2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H10ClN3O3S3/c12-11-14-5-10(20-11)21(17,18)15-7-3-1-2-4-8(7)19-6-9(13)16/h1-5,15H,6H2,(H2,13,16)
InChIKeyZNUGQPZTIQECLZ-UHFFFAOYSA-N
XLogP2.17
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide (CID 61052007) is 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is ZNUGQPZTIQECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S3/c12-11-14-5-10(20-11)21(17,18)15-7-3-1-2-4-8(7)19-6-9(13)16/h1-5,15H,6H2,(H2,13,16).
What are the key properties of 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 363.87 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 61052007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).