3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide

C18H20N2O5S — CID 97188008

IUPAC3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1
InChIInChI=1S/C18H20N2O5S/c21-16-12-20(9-10-25-13-16)26(23,24)17-8-4-5-14(11-17)18(22)19-15-6-2-1-3-7-15/h1-8,11,16,21H,9-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeySSLQEWUYIBJNQT-INIZCTEOSA-N
MW376.43 g/mol
LogP1.32
Rot. Bonds4

About 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide

3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide (PubChem CID 97188008) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide
PubChem CID97188008
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1
InChIInChI=1S/C18H20N2O5S/c21-16-12-20(9-10-25-13-16)26(23,24)17-8-4-5-14(11-17)18(22)19-15-6-2-1-3-7-15/h1-8,11,16,21H,9-10,12-13H2,(H,19,22)/t16-/m0/s1
InChIKeySSLQEWUYIBJNQT-INIZCTEOSA-N
XLogP1.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1081958
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
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CID 17016191
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2713360

Frequently Asked Questions

What is the IUPAC name of 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide?
The IUPAC name of 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide (CID 97188008) is 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOC[C@@H](O)C2)c1.
What is the InChIKey of 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide?
The InChIKey is SSLQEWUYIBJNQT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-16-12-20(9-10-25-13-16)26(23,24)17-8-4-5-14(11-17)18(22)19-15-6-2-1-3-7-15/h1-8,11,16,21H,9-10,12-13H2,(H,19,22)/t16-/m0/s1.
What are the key properties of 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide?
3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6S)-6-hydroxy-1,4-oxazepan-4-yl]sulfonyl]-N-phenylbenzamide is sourced from PubChem (CID 97188008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).