1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone

C11H16N2O3S — CID 110612637

IUPAC1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
SMILESCCNS(=O)(=O)Nc1cc(C(C)=O)ccc1C
InChIInChI=1S/C11H16N2O3S/c1-4-12-17(15,16)13-11-7-10(9(3)14)6-5-8(11)2/h5-7,12-13H,4H2,1-3H3
InChIKeyMPIVNBNVRBADHD-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.46
Rot. Bonds5

About 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone

1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone (PubChem CID 110612637) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
PubChem CID110612637
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone
SMILESCCNS(=O)(=O)Nc1cc(C(C)=O)ccc1C
InChIInChI=1S/C11H16N2O3S/c1-4-12-17(15,16)13-11-7-10(9(3)14)6-5-8(11)2/h5-7,12-13H,4H2,1-3H3
InChIKeyMPIVNBNVRBADHD-UHFFFAOYSA-N
XLogP1.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(ethylsulfonylamino)-4-methylbenzoate
CID 6466185
N-(5-acetyl-2-methylphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110604130
N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
CID 110618393
5-acetyl-2-methyl-N-propylbenzenesulfonamide
CID 39357440
N-(5-acetyl-2-methylphenyl)-3-methylsulfonylpropanamide
CID 110612634
1-[4-methyl-3-(propan-2-ylamino)phenyl]ethanone
CID 59080758
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
1-(5-acetyl-2-methylphenyl)-3-butan-2-ylurea
CID 110612625
3-[[butyl(methyl)sulfamoyl]amino]-4-methylbenzoic acid
CID 43351250

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone (CID 110612637) is 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone is CCNS(=O)(=O)Nc1cc(C(C)=O)ccc1C.
What is the InChIKey of 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone?
The InChIKey is MPIVNBNVRBADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-12-17(15,16)13-11-7-10(9(3)14)6-5-8(11)2/h5-7,12-13H,4H2,1-3H3.
What are the key properties of 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone?
1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone has a molecular weight of 256.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylsulfamoylamino)-4-methylphenyl]ethanone is sourced from PubChem (CID 110612637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).