3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide

C15H20N2O2S2 — CID 110289684

IUPAC3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(CC(C)C)c2nccs2)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)9-14(15-16-7-8-20-15)17-21(18,19)13-6-4-5-12(3)10-13/h4-8,10-11,14,17H,9H2,1-3H3
InChIKeyIHKRZYNQLHDHMI-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.52
Rot. Bonds6

About 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide

3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide (PubChem CID 110289684) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
PubChem CID110289684
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(CC(C)C)c2nccs2)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)9-14(15-16-7-8-20-15)17-21(18,19)13-6-4-5-12(3)10-13/h4-8,10-11,14,17H,9H2,1-3H3
InChIKeyIHKRZYNQLHDHMI-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289700
1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
CID 110289697
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
4-fluoro-3-methoxy-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 102562347
4-amino-3-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 82843811
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 121176946
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
CID 158492004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide (CID 110289684) is 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NC(CC(C)C)c2nccs2)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The InChIKey is IHKRZYNQLHDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(2)9-14(15-16-7-8-20-15)17-21(18,19)13-6-4-5-12(3)10-13/h4-8,10-11,14,17H,9H2,1-3H3.
What are the key properties of 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 110289684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).