N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide

C16H23N3O2S2 — CID 9343482

IUPACN,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCCNc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1
InChIInChI=1S/C16H23N3O2S2/c1-4-11-17-16-18-15(12-22-16)13-7-9-14(10-8-13)23(20,21)19(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyMBRYLLFZTAPDLP-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.66
Rot. Bonds8

About N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide

N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 9343482) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID9343482
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCCNc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1
InChIInChI=1S/C16H23N3O2S2/c1-4-11-17-16-18-15(12-22-16)13-7-9-14(10-8-13)23(20,21)19(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyMBRYLLFZTAPDLP-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 9343482) is N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide is CCCNc1nc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs1.
What is the InChIKey of N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is MBRYLLFZTAPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-4-11-17-16-18-15(12-22-16)13-7-9-14(10-8-13)23(20,21)19(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 353.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(propylamino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 9343482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).