N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide

C17H22N2O5S2 — CID 71796912

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1
InChIInChI=1S/C17H22N2O5S2/c1-13-11-15(14(2)24-13)12-18-26(22,23)17-7-5-16(6-8-17)19-9-3-4-10-25(19,20)21/h5-8,11,18H,3-4,9-10,12H2,1-2H3
InChIKeyRITJNNMKTMKLDA-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.30
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (PubChem CID 71796912) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
PubChem CID71796912
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1
InChIInChI=1S/C17H22N2O5S2/c1-13-11-15(14(2)24-13)12-18-26(22,23)17-7-5-16(6-8-17)19-9-3-4-10-25(19,20)21/h5-8,11,18H,3-4,9-10,12H2,1-2H3
InChIKeyRITJNNMKTMKLDA-UHFFFAOYSA-N
XLogP2.30
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide (CID 71796912) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
The InChIKey is RITJNNMKTMKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-13-11-15(14(2)24-13)12-18-26(22,23)17-7-5-16(6-8-17)19-9-3-4-10-25(19,20)21/h5-8,11,18H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide is sourced from PubChem (CID 71796912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).