3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide

C16H17ClN2O4S2 — CID 7584632

IUPAC3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S2/c17-13-4-3-5-16(12-13)25(22,23)18-14-6-8-15(9-7-14)19-10-1-2-11-24(19,20)21/h3-9,12,18H,1-2,10-11H2
InChIKeyQIZQWCVSBBWDJU-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.07
Rot. Bonds4

About 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide

3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide (PubChem CID 7584632) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
PubChem CID7584632
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC Name3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O4S2/c17-13-4-3-5-16(12-13)25(22,23)18-14-6-8-15(9-7-14)19-10-1-2-11-24(19,20)21/h3-9,12,18H,1-2,10-11H2
InChIKeyQIZQWCVSBBWDJU-UHFFFAOYSA-N
XLogP3.07
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methylbenzenesulfonamide
CID 112505484
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
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-cyclohexyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 25420949

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide (CID 7584632) is 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is QIZQWCVSBBWDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c17-13-4-3-5-16(12-13)25(22,23)18-14-6-8-15(9-7-14)19-10-1-2-11-24(19,20)21/h3-9,12,18H,1-2,10-11H2.
What are the key properties of 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide?
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 400.91 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7584632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).