4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

C17H18ClN3O5S — CID 7478552

IUPAC4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C17H18ClN3O5S/c1-25-16-5-3-13(11-19-16)20-17(22)12-2-4-14(18)15(10-12)27(23,24)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyOBYUCTMDVNCKTN-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.02
Rot. Bonds5

About 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 7478552) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID7478552
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1
InChIInChI=1S/C17H18ClN3O5S/c1-25-16-5-3-13(11-19-16)20-17(22)12-2-4-14(18)15(10-12)27(23,24)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyOBYUCTMDVNCKTN-UHFFFAOYSA-N
XLogP2.02
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-chloro-N-[4-(difluoromethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 26894892
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 8919530

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide (CID 7478552) is 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1.
What is the InChIKey of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OBYUCTMDVNCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-25-16-5-3-13(11-19-16)20-17(22)12-2-4-14(18)15(10-12)27(23,24)21-6-8-26-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 411.87 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7478552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).