4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C15H20N2O3S2 — CID 3245366

IUPAC4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-3-4-9-20-14-5-7-15(8-6-14)22(18,19)16-10-13-11-21-12(2)17-13/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyHTPXJBLIHQMVLK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds8

About 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 3245366) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID3245366
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-3-4-9-20-14-5-7-15(8-6-14)22(18,19)16-10-13-11-21-12(2)17-13/h5-8,11,16H,3-4,9-10H2,1-2H3
InChIKeyHTPXJBLIHQMVLK-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
CID 62157737
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
1-(4-butoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105108782
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-methoxy-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47319452
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 3245366) is 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is HTPXJBLIHQMVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-3-4-9-20-14-5-7-15(8-6-14)22(18,19)16-10-13-11-21-12(2)17-13/h5-8,11,16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 3245366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).