4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

C11H14ClNO5S2 — CID 110721471

IUPAC4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO5S2/c1-18-11-3-2-9(8-10(11)12)20(16,17)13-4-6-19(14,15)7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyMNLVMLWUUNTLJI-UHFFFAOYSA-N
MW339.82 g/mol
LogP0.77
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 110721471) has the molecular formula C11H14ClNO5S2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID110721471
Molecular FormulaC11H14ClNO5S2
Molecular Weight339.82 g/mol
Exact Mass339.00
IUPAC Name4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl
InChIInChI=1S/C11H14ClNO5S2/c1-18-11-3-2-9(8-10(11)12)20(16,17)13-4-6-19(14,15)7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyMNLVMLWUUNTLJI-UHFFFAOYSA-N
XLogP0.77
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 75443816
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
6-(3-chloro-4-methoxyphenyl)sulfonyl-2,2-difluoro-6-azaspiro[2.5]octane
CID 126851681
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-[2-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 107091277
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576375
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 110721471) is 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is COc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MNLVMLWUUNTLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S2/c1-18-11-3-2-9(8-10(11)12)20(16,17)13-4-6-19(14,15)7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 339.82 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 110721471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).