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

C15H24N2O4S2 — CID 7517085

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S2/c1-2-3-4-11-16-23(20,21)15-9-7-14(8-10-15)17-12-5-6-13-22(17,18)19/h7-10,16H,2-6,11-13H2,1H3
InChIKeyRIDJKUCPYFWIKC-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.09
Rot. Bonds7

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

4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide (PubChem CID 7517085) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide
PubChem CID7517085
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S2/c1-2-3-4-11-16-23(20,21)15-9-7-14(8-10-15)17-12-5-6-13-22(17,18)19/h7-10,16H,2-6,11-13H2,1H3
InChIKeyRIDJKUCPYFWIKC-UHFFFAOYSA-N
XLogP2.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide (CID 7517085) is 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide?
The InChIKey is RIDJKUCPYFWIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-2-3-4-11-16-23(20,21)15-9-7-14(8-10-15)17-12-5-6-13-22(17,18)19/h7-10,16H,2-6,11-13H2,1H3.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide?
4-(1,1-dioxothiazinan-2-yl)-N-pentylbenzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 2.09, 7 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-pentylbenzenesulfonamide is sourced from PubChem (CID 7517085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).