N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H14N2O3S2 — CID 51108485

IUPACN-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H14N2O3S2/c1-2-11(16)10-15(13-14-8-9-19-13)20(17,18)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyWGQKJGAQCVPOKE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.32
Rot. Bonds6

About N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 51108485) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID51108485
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H14N2O3S2/c1-2-11(16)10-15(13-14-8-9-19-13)20(17,18)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3
InChIKeyWGQKJGAQCVPOKE-UHFFFAOYSA-N
XLogP2.32
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzylacetamide
CID 17435397
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 27805787
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17455908
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 25494444
N-[(2R)-2-hydroxy-3,3-dimethylbutyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 124876257
2-[benzenesulfonyl(1,3-thiazol-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55403828
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 27805492
2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 4087394
N-(1,3-thiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 24598704
N-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 35433851
N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55528148
4-ethyl-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723412

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 51108485) is N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCC(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WGQKJGAQCVPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-2-11(16)10-15(13-14-8-9-19-13)20(17,18)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3.
What are the key properties of N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 51108485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).