N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide

C13H15ClN2O2S2 — CID 61051227

IUPACN-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-3-9(2)10-4-6-11(7-5-10)16-20(17,18)12-8-15-13(14)19-12/h4-9,16H,3H2,1-2H3
InChIKeyJLENVDARCCIFLR-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.11
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide

N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 61051227) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID61051227
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1
InChIInChI=1S/C13H15ClN2O2S2/c1-3-9(2)10-4-6-11(7-5-10)16-20(17,18)12-8-15-13(14)19-12/h4-9,16H,3H2,1-2H3
InChIKeyJLENVDARCCIFLR-UHFFFAOYSA-N
XLogP4.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
methyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]benzoate
CID 60749436
4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylbenzamide
CID 60749460
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61047553
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 103414481
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 61051227) is N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide is CCC(C)c1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is JLENVDARCCIFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-3-9(2)10-4-6-11(7-5-10)16-20(17,18)12-8-15-13(14)19-12/h4-9,16H,3H2,1-2H3.
What are the key properties of N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).