6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine

C17H18ClNO4S — CID 141181124

IUPAC6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCOc2ccccc21
InChIInChI=1S/C17H18ClNO4S/c1-22-16-9-8-13(18)12-17(16)24(20,21)19-10-4-5-11-23-15-7-3-2-6-14(15)19/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyZQOYFCQPYSUGAC-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.72
Rot. Bonds3

About 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine

6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine (PubChem CID 141181124) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
PubChem CID141181124
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCOc2ccccc21
InChIInChI=1S/C17H18ClNO4S/c1-22-16-9-8-13(18)12-17(16)24(20,21)19-10-4-5-11-23-15-7-3-2-6-14(15)19/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyZQOYFCQPYSUGAC-UHFFFAOYSA-N
XLogP3.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 86621011
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382919
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 5301680
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
6-chloro-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639498
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2,3-dihydro-1,4-benzoxazin-4-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 32611725
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
2,6-dichloro-N-[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913099
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine (CID 141181124) is 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine is COc1ccc(Cl)cc1S(=O)(=O)N1CCCCOc2ccccc21.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine?
The InChIKey is ZQOYFCQPYSUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-22-16-9-8-13(18)12-17(16)24(20,21)19-10-4-5-11-23-15-7-3-2-6-14(15)19/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine?
6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine has a molecular weight of 367.85 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine is sourced from PubChem (CID 141181124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).