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

C14H14ClN3O4S2 — CID 1102161

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C14H14ClN3O4S2/c15-12-2-1-10(24(20,21)18-4-6-22-7-5-18)9-11(12)13(19)17-14-16-3-8-23-14/h1-3,8-9H,4-7H2,(H,16,17,19)
InChIKeyNNVWVQMCDKGAOQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.07
Rot. Bonds4

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

2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1102161) has the molecular formula C14H14ClN3O4S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1102161
Molecular FormulaC14H14ClN3O4S2
Molecular Weight387.87 g/mol
Exact Mass387.01
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C14H14ClN3O4S2/c15-12-2-1-10(24(20,21)18-4-6-22-7-5-18)9-11(12)13(19)17-14-16-3-8-23-14/h1-3,8-9H,4-7H2,(H,16,17,19)
InChIKeyNNVWVQMCDKGAOQ-UHFFFAOYSA-N
XLogP2.07
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 1102161) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NNVWVQMCDKGAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4S2/c15-12-2-1-10(24(20,21)18-4-6-22-7-5-18)9-11(12)13(19)17-14-16-3-8-23-14/h1-3,8-9H,4-7H2,(H,16,17,19).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 387.87 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1102161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).