N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide

C12H12ClN3O3S2 — CID 61053150

IUPACN-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cnc(Cl)s1)NCc1ccccc1
InChIInChI=1S/C12H12ClN3O3S2/c13-12-15-8-11(20-12)21(18,19)16-7-10(17)14-6-9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,14,17)
InChIKeyJKGSCLAESPQQPR-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.39
Rot. Bonds6

About N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide

N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide (PubChem CID 61053150) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
PubChem CID61053150
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC NameN-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cnc(Cl)s1)NCc1ccccc1
InChIInChI=1S/C12H12ClN3O3S2/c13-12-15-8-11(20-12)21(18,19)16-7-10(17)14-6-9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,14,17)
InChIKeyJKGSCLAESPQQPR-UHFFFAOYSA-N
XLogP1.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide (CID 61053150) is N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cnc(Cl)s1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide?
The InChIKey is JKGSCLAESPQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c13-12-15-8-11(20-12)21(18,19)16-7-10(17)14-6-9-4-2-1-3-5-9/h1-5,8,16H,6-7H2,(H,14,17).
What are the key properties of N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide?
N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 61053150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).