2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide

C16H17ClN2O5S — CID 1107138

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H17ClN2O5S/c17-15-4-3-13(25(21,22)19-5-8-23-9-6-19)10-14(15)16(20)18-11-12-2-1-7-24-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeySLIJNYQMZVFGEH-UHFFFAOYSA-N
MW384.84 g/mol
LogP1.88
Rot. Bonds5

About 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1107138) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1107138
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C16H17ClN2O5S/c17-15-4-3-13(25(21,22)19-5-8-23-9-6-19)10-14(15)16(20)18-11-12-2-1-7-24-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeySLIJNYQMZVFGEH-UHFFFAOYSA-N
XLogP1.88
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2207960
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 6617066
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30505497
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide (CID 1107138) is 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SLIJNYQMZVFGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c17-15-4-3-13(25(21,22)19-5-8-23-9-6-19)10-14(15)16(20)18-11-12-2-1-7-24-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,20).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 384.84 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1107138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).