N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide

C15H19ClN2O2S2 — CID 110284947

IUPACN-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN2O2S2/c1-2-3-10-22(19,20)17-9-8-12-11-21-15(18-12)13-6-4-5-7-14(13)16/h4-7,11,17H,2-3,8-10H2,1H3
InChIKeyQSIZSHPSIYYOHR-UHFFFAOYSA-N
MW358.92 g/mol
LogP3.73
Rot. Bonds8

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

N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide (PubChem CID 110284947) has the molecular formula C15H19ClN2O2S2 and a molecular weight of 358.92 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
PubChem CID110284947
Molecular FormulaC15H19ClN2O2S2
Molecular Weight358.92 g/mol
Exact Mass358.06
IUPAC NameN-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H19ClN2O2S2/c1-2-3-10-22(19,20)17-9-8-12-11-21-15(18-12)13-6-4-5-7-14(13)16/h4-7,11,17H,2-3,8-10H2,1H3
InChIKeyQSIZSHPSIYYOHR-UHFFFAOYSA-N
XLogP3.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]propane-1-sulfonamide
CID 110284946
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]cyclopentanamine
CID 110624868
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
N-[3-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethylsulfamoyl]-4-methylphenyl]acetamide
CID 75390927
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylethanesulfonamide
CID 7216713
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 110305114
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 110284938

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide (CID 110284947) is N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide?
The InChIKey is QSIZSHPSIYYOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S2/c1-2-3-10-22(19,20)17-9-8-12-11-21-15(18-12)13-6-4-5-7-14(13)16/h4-7,11,17H,2-3,8-10H2,1H3.
What are the key properties of N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide?
N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide has a molecular weight of 358.92 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110284947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).