4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide

C16H18N2O4S2 — CID 7517150

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20)13-5-4-12-18(23)15-8-10-16(11-9-15)24(21,22)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChIKeyHQQWDIWSXUSPIS-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.42
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide (PubChem CID 7517150) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
PubChem CID7517150
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C16H18N2O4S2/c19-23(20)13-5-4-12-18(23)15-8-10-16(11-9-15)24(21,22)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChIKeyHQQWDIWSXUSPIS-UHFFFAOYSA-N
XLogP2.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
4-(1,1-dioxothiazinan-2-yl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 7517119
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
4-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
4-(1,1-dioxothiazinan-2-yl)-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzenesulfonamide
CID 97105851
4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)benzenesulfonamide
CID 7517083
N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 112505889
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
CID 90129962
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
4-(1,1-dioxothiazepan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide
CID 90130060

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide (CID 7517150) is 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide?
The InChIKey is HQQWDIWSXUSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-23(20)13-5-4-12-18(23)15-8-10-16(11-9-15)24(21,22)17-14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 7517150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).