2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C14H13Cl2N3O4S2 — CID 1107087

IUPAC2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O4S2/c15-10-8-11(16)12(25(21,22)19-2-4-23-5-3-19)7-9(10)13(20)18-14-17-1-6-24-14/h1,6-8H,2-5H2,(H,17,18,20)
InChIKeySYPVSDULPPCGLN-UHFFFAOYSA-N
MW422.32 g/mol
LogP2.72
Rot. Bonds4

About 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1107087) has the molecular formula C14H13Cl2N3O4S2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1107087
Molecular FormulaC14H13Cl2N3O4S2
Molecular Weight422.32 g/mol
Exact Mass420.97
IUPAC Name2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3O4S2/c15-10-8-11(16)12(25(21,22)19-2-4-23-5-3-19)7-9(10)13(20)18-14-17-1-6-24-14/h1,6-8H,2-5H2,(H,17,18,20)
InChIKeySYPVSDULPPCGLN-UHFFFAOYSA-N
XLogP2.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1107087) is 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SYPVSDULPPCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O4S2/c15-10-8-11(16)12(25(21,22)19-2-4-23-5-3-19)7-9(10)13(20)18-14-17-1-6-24-14/h1,6-8H,2-5H2,(H,17,18,20).
What are the key properties of 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 422.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1107087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).