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

C11H15ClN2O4S2 — CID 7584636

IUPAC1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C11H15ClN2O4S2/c12-9-19(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-20(14,17)18/h3-6,13H,1-2,7-9H2
InChIKeyQWVLXNWKZGUNQJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.55
Rot. Bonds4

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

1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide (PubChem CID 7584636) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
PubChem CID7584636
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C11H15ClN2O4S2/c12-9-19(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-20(14,17)18/h3-6,13H,1-2,7-9H2
InChIKeyQWVLXNWKZGUNQJ-UHFFFAOYSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
4-(1,1-dioxothiazinan-2-yl)-N-(4-ethylphenyl)benzenesulfonamide
CID 7517145
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
N-(cyclopentylsulfamoyl)-4-(1,1-dioxothiazinan-2-yl)aniline
CID 110622880
3-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]benzenesulfonamide
CID 7584632
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110623026
4-(1,1-dioxothiazinan-2-yl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 20962759
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
5-(1,1-dioxothiazinan-2-yl)-2-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 39776497
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide (CID 7584636) is 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide is O=S(=O)(CCl)Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide?
The InChIKey is QWVLXNWKZGUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c12-9-19(15,16)13-10-3-5-11(6-4-10)14-7-1-2-8-20(14,17)18/h3-6,13H,1-2,7-9H2.
What are the key properties of 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide?
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide has a molecular weight of 338.84 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 7584636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).