methyl N-[(4-acetylphenyl)sulfamoyl]carbamate

C10H12N2O5S — CID 115872551

IUPACmethyl N-[(4-acetylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)8-3-5-9(6-4-8)11-18(15,16)12-10(14)17-2/h3-6,11H,1-2H3,(H,12,14)
InChIKeyZDSIPQVWGQUYAW-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.90
Rot. Bonds4

About methyl N-[(4-acetylphenyl)sulfamoyl]carbamate

methyl N-[(4-acetylphenyl)sulfamoyl]carbamate (PubChem CID 115872551) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is methyl N-[(4-acetylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-acetylphenyl)sulfamoyl]carbamate
PubChem CID115872551
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Namemethyl N-[(4-acetylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)8-3-5-9(6-4-8)11-18(15,16)12-10(14)17-2/h3-6,11H,1-2H3,(H,12,14)
InChIKeyZDSIPQVWGQUYAW-UHFFFAOYSA-N
XLogP0.90
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
CID 12781230
methyl N-[[4-(chloromethyl)phenyl]sulfamoyl]carbamate
CID 114466361
methyl N-(4-acetylphenoxy)sulfonylcarbamate
CID 100917262
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
methyl N-[[4-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]carbamate
CID 114465638
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
methyl N-[(3-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463601
methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate
CID 110193344
methyl N-[[3-(aminomethyl)-4-ethoxyphenyl]sulfamoyl]carbamate
CID 114467010

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-acetylphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(4-acetylphenyl)sulfamoyl]carbamate (CID 115872551) is methyl N-[(4-acetylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(4-acetylphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(4-acetylphenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl N-[(4-acetylphenyl)sulfamoyl]carbamate?
The InChIKey is ZDSIPQVWGQUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-7(13)8-3-5-9(6-4-8)11-18(15,16)12-10(14)17-2/h3-6,11H,1-2H3,(H,12,14).
What are the key properties of methyl N-[(4-acetylphenyl)sulfamoyl]carbamate?
methyl N-[(4-acetylphenyl)sulfamoyl]carbamate has a molecular weight of 272.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-acetylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 115872551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).