N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

C17H18N2O3S2 — CID 2381612

IUPACN,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3
InChIKeyIWNUVVDFGSDHGN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.08
Rot. Bonds5

About N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide

N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 2381612) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
PubChem CID2381612
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1
InChIInChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3
InChIKeyIWNUVVDFGSDHGN-UHFFFAOYSA-N
XLogP3.08
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide (CID 2381612) is N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1.
What is the InChIKey of N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is IWNUVVDFGSDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-3-18(4-2)24(21,22)14-9-7-8-13(12-14)19-17(20)15-10-5-6-11-16(15)23-19/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide?
N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 2381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).