1-acetyl-3-(dimethylsulfamoylamino)benzene

C10H14N2O3S — CID 1239358

IUPAC1-acetyl-3-(dimethylsulfamoylamino)benzene
SMILESCC(=O)c1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H14N2O3S/c1-8(13)9-5-4-6-10(7-9)11-16(14,15)12(2)3/h4-7,11H,1-3H3
InChIKeyYDCDUUBFPDSSCI-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.11
Rot. Bonds4

About 1-acetyl-3-(dimethylsulfamoylamino)benzene

1-acetyl-3-(dimethylsulfamoylamino)benzene (PubChem CID 1239358) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-acetyl-3-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-acetyl-3-(dimethylsulfamoylamino)benzene
PubChem CID1239358
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-acetyl-3-(dimethylsulfamoylamino)benzene
SMILESCC(=O)c1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H14N2O3S/c1-8(13)9-5-4-6-10(7-9)11-16(14,15)12(2)3/h4-7,11H,1-3H3
InChIKeyYDCDUUBFPDSSCI-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-acetyl-3-(dimethylsulfamoylamino)benzene (CID 1239358) is 1-acetyl-3-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-acetyl-3-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-acetyl-3-(dimethylsulfamoylamino)benzene is CC(=O)c1cccc(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-acetyl-3-(dimethylsulfamoylamino)benzene?
The InChIKey is YDCDUUBFPDSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-8(13)9-5-4-6-10(7-9)11-16(14,15)12(2)3/h4-7,11H,1-3H3.
What are the key properties of 1-acetyl-3-(dimethylsulfamoylamino)benzene?
1-acetyl-3-(dimethylsulfamoylamino)benzene has a molecular weight of 242.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 1239358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).