4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

C10H12BrNO4S2 — CID 22503089

IUPAC4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H12BrNO4S2/c11-9-1-3-10(4-2-9)18(15,16)12-5-7-17(13,14)8-6-12/h1-4H,5-8H2
InChIKeyMDUCJYHQDFURDW-UHFFFAOYSA-N
MW354.25 g/mol
LogP0.87
Rot. Bonds2

About 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide

4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (PubChem CID 22503089) has the molecular formula C10H12BrNO4S2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
PubChem CID22503089
Molecular FormulaC10H12BrNO4S2
Molecular Weight354.25 g/mol
Exact Mass352.94
IUPAC Name4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C10H12BrNO4S2/c11-9-1-3-10(4-2-9)18(15,16)12-5-7-17(13,14)8-6-12/h1-4H,5-8H2
InChIKeyMDUCJYHQDFURDW-UHFFFAOYSA-N
XLogP0.87
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 91029877
4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 116528119
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721496
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-thiazinane 1,1-dioxide
CID 110721464
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
4-bromo-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 1274641
1-(4-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 2128103
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide (CID 22503089) is 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is MDUCJYHQDFURDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S2/c11-9-1-3-10(4-2-9)18(15,16)12-5-7-17(13,14)8-6-12/h1-4H,5-8H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide?
4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 354.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 22503089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).