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

C16H17ClN2O4S2 — CID 46387560

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl
InChIInChI=1S/C16H17ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeyNYYZBVDFFVQIBD-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.60
Rot. Bonds5

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

2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 46387560) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID46387560
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl
InChIInChI=1S/C16H17ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeyNYYZBVDFFVQIBD-UHFFFAOYSA-N
XLogP2.60
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.60
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
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-chloro-N-(pyridin-3-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387547
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
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-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
2-chloro-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387623
N-[3-[benzyl(methyl)amino]propyl]-2-chloro-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387607
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide (CID 46387560) is 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide is O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCSCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is NYYZBVDFFVQIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c17-15-4-3-13(25(21,22)19-5-8-24-9-6-19)10-14(15)16(20)18-11-12-2-1-7-23-12/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-thiomorpholin-4-ylsulfonylbenzamide?
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 400.91 g/mol, XLogP of 2.60, 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-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46387560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).