N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide

C14H18N2O2S2 — CID 108780480

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10-19-11(2)15-14/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyVHQCLPVBOARRHS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide (PubChem CID 108780480) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
PubChem CID108780480
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10-19-11(2)15-14/h5-8,10,16H,3-4,9H2,1-2H3
InChIKeyVHQCLPVBOARRHS-UHFFFAOYSA-N
XLogP3.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 122286623
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
3-(methanesulfonamido)-2,4,6-trimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 55896668
N-[4-(3-amino-4-hydroxyphenyl)-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 43603730
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
3-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8841474
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
4-(butylsulfonylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 19683751
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
N-(2-methyl-1,3-benzothiazol-5-yl)dodecane-1-sulfonamide
CID 59079299

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide (CID 108780480) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide?
The InChIKey is VHQCLPVBOARRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-4-9-20(17,18)16-13-7-5-12(6-8-13)14-10-19-11(2)15-14/h5-8,10,16H,3-4,9H2,1-2H3.
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 108780480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).