7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide

C13H13ClN2O5S — CID 167907181

IUPAC7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)c2occc12
InChIInChI=1S/C13H13ClN2O5S/c14-11-2-1-10(9-3-6-21-12(9)11)13(17)15-22(18,19)16-4-7-20-8-5-16/h1-3,6H,4-5,7-8H2,(H,15,17)
InChIKeyRNJLBTVBVYRDET-UHFFFAOYSA-N
MW344.78 g/mol
LogP1.39
Rot. Bonds3

About 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide

7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide (PubChem CID 167907181) has the molecular formula C13H13ClN2O5S and a molecular weight of 344.78 g/mol. Its IUPAC name is 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide
PubChem CID167907181
Molecular FormulaC13H13ClN2O5S
Molecular Weight344.78 g/mol
Exact Mass344.02
IUPAC Name7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)c2occc12
InChIInChI=1S/C13H13ClN2O5S/c14-11-2-1-10(9-3-6-21-12(9)11)13(17)15-22(18,19)16-4-7-20-8-5-16/h1-3,6H,4-5,7-8H2,(H,15,17)
InChIKeyRNJLBTVBVYRDET-UHFFFAOYSA-N
XLogP1.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43046761
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 779059
7-chloro-N-[[3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-4-carboxamide
CID 164634818
2-amino-N-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
CID 156549733
2,4-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 24542518
3-bromo-N-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 71859634
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide?
The IUPAC name of 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide (CID 167907181) is 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide.
What is the SMILES notation for 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide?
The canonical SMILES for 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide is O=C(NS(=O)(=O)N1CCOCC1)c1ccc(Cl)c2occc12.
What is the InChIKey of 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide?
The InChIKey is RNJLBTVBVYRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O5S/c14-11-2-1-10(9-3-6-21-12(9)11)13(17)15-22(18,19)16-4-7-20-8-5-16/h1-3,6H,4-5,7-8H2,(H,15,17).
What are the key properties of 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide?
7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-morpholin-4-ylsulfonyl-1-benzofuran-4-carboxamide is sourced from PubChem (CID 167907181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).