4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide

C10H14N2O4S2 — CID 5356

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IUPAC4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
InChIKeyHMHVCUVYZFYAJI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.26
Rot. Bonds2

About 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide

4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (PubChem CID 5356) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
PubChem CID5356
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
InChIKeyHMHVCUVYZFYAJI-UHFFFAOYSA-N
XLogP0.26
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
1-(4-Isothiocyanatophenylsulfonyl)piperidine
CID 23815
Thiomorpholine, 4-phenyl-, 1,1-dioxide
CID 87241
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
Thiol-arylsulfonamide, 16a
CID 25138248
Mesulfamide
CID 176886
4-(Piperidine-1-sulfonyl)aniline
CID 236648
Thiol-arylsulfonamide, 16b
CID 25138249
4-(dimethylamino)-~{N}-nitro-benzenesulfonamide
CID 127052811

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (CID 5356) is 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The InChIKey is HMHVCUVYZFYAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide has a molecular weight of 290.37 g/mol, XLogP of 0.26, 2 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)benzenesulfonamide is sourced from PubChem (CID 5356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).