N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C14H18N2O2S2 — CID 829863

IUPACN,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C14H18N2O2S2/c1-4-16(5-2)20(17,18)13-8-6-7-12(9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3
InChIKeyXEQDTORROYRUMD-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.15
Rot. Bonds5

About N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 829863) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID829863
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C14H18N2O2S2/c1-4-16(5-2)20(17,18)13-8-6-7-12(9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3
InChIKeyXEQDTORROYRUMD-UHFFFAOYSA-N
XLogP3.15
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 829863) is N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1.
What is the InChIKey of N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is XEQDTORROYRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-4-16(5-2)20(17,18)13-8-6-7-12(9-13)14-10-19-11(3)15-14/h6-10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 829863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).