1-[3-(tert-butylsulfamoylamino)phenyl]ethanone

C12H18N2O3S — CID 113421750

IUPAC1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NS(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-9(15)10-6-5-7-11(8-10)13-18(16,17)14-12(2,3)4/h5-8,13-14H,1-4H3
InChIKeyXBUAZVLDPWQQNB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.93
Rot. Bonds4

About 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone

1-[3-(tert-butylsulfamoylamino)phenyl]ethanone (PubChem CID 113421750) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
PubChem CID113421750
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NS(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-9(15)10-6-5-7-11(8-10)13-18(16,17)14-12(2,3)4/h5-8,13-14H,1-4H3
InChIKeyXBUAZVLDPWQQNB-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(tert-butylsulfamoyl)aniline
CID 104516899
(3-acetylphenyl)sulfamic acid
CID 12629151
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
methyl 2-[(3-acetylphenyl)sulfamoyl]propanoate
CID 61458645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone?
The IUPAC name of 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone (CID 113421750) is 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone.
What is the SMILES notation for 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone?
The canonical SMILES for 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone is CC(=O)c1cccc(NS(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone?
The InChIKey is XBUAZVLDPWQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(15)10-6-5-7-11(8-10)13-18(16,17)14-12(2,3)4/h5-8,13-14H,1-4H3.
What are the key properties of 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone?
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone has a molecular weight of 270.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylsulfamoylamino)phenyl]ethanone is sourced from PubChem (CID 113421750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).