2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide

C14H14ClN3O3S2 — CID 18571936

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CC1
InChIInChI=1S/C14H14ClN3O3S2/c15-9-1-5-12(6-2-9)23(20,21)18-14-17-11(8-22-14)7-13(19)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,19)(H,17,18)
InChIKeyXSYOMTAQYYBXGJ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide (PubChem CID 18571936) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide
PubChem CID18571936
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CC1
InChIInChI=1S/C14H14ClN3O3S2/c15-9-1-5-12(6-2-9)23(20,21)18-14-17-11(8-22-14)7-13(19)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,19)(H,17,18)
InChIKeyXSYOMTAQYYBXGJ-UHFFFAOYSA-N
XLogP2.42
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide (CID 18571936) is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NC1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
The InChIKey is XSYOMTAQYYBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c15-9-1-5-12(6-2-9)23(20,21)18-14-17-11(8-22-14)7-13(19)16-10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide?
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide has a molecular weight of 371.87 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 18571936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).