4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

C10H11BrFNO4S2 — CID 116528119

IUPAC4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFNO4S2/c11-8-1-2-10(9(12)7-8)19(16,17)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6H2
InChIKeyYTLBDGVIJRJNOV-UHFFFAOYSA-N
MW372.24 g/mol
LogP1.01
Rot. Bonds2

About 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 116528119) has the molecular formula C10H11BrFNO4S2 and a molecular weight of 372.24 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID116528119
Molecular FormulaC10H11BrFNO4S2
Molecular Weight372.24 g/mol
Exact Mass370.93
IUPAC Name4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C10H11BrFNO4S2/c11-8-1-2-10(9(12)7-8)19(16,17)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6H2
InChIKeyYTLBDGVIJRJNOV-UHFFFAOYSA-N
XLogP1.01
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 116528277
4-(5-bromo-2-nitrophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 61015611
4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 22503089
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
7-(4-bromo-2-fluorophenyl)sulfonyl-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116528707
4-(4-bromo-2-fluorophenyl)sulfonyl-1,2,6-trimethylpiperazine
CID 114389646
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858
4-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 65206857
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 116528119) is 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is YTLBDGVIJRJNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4S2/c11-8-1-2-10(9(12)7-8)19(16,17)13-3-5-18(14,15)6-4-13/h1-2,7H,3-6H2.
What are the key properties of 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 372.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 116528119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).