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

C16H22N2O2S2 — CID 934351

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C16H22N2O2S2/c1-4-9-18(10-5-2)22(19,20)15-8-6-7-14(11-15)16-12-21-13(3)17-16/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyAKSPSEBZZNPTLT-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.93
Rot. Bonds7

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

3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide (PubChem CID 934351) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide
PubChem CID934351
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C16H22N2O2S2/c1-4-9-18(10-5-2)22(19,20)15-8-6-7-14(11-15)16-12-21-13(3)17-16/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyAKSPSEBZZNPTLT-UHFFFAOYSA-N
XLogP3.93
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide (CID 934351) is 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is AKSPSEBZZNPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-4-9-18(10-5-2)22(19,20)15-8-6-7-14(11-15)16-12-21-13(3)17-16/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide?
3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 934351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).