methyl N-[(4-methylphenyl)sulfonylamino]carbamate

C9H12N2O4S — CID 795389

IUPACmethyl N-[(4-methylphenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O4S/c1-7-3-5-8(6-4-7)16(13,14)11-10-9(12)15-2/h3-6,11H,1-2H3,(H,10,12)
InChIKeyGOBCGGVCKHZJJE-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.54
Rot. Bonds3

About methyl N-[(4-methylphenyl)sulfonylamino]carbamate

methyl N-[(4-methylphenyl)sulfonylamino]carbamate (PubChem CID 795389) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl N-[(4-methylphenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(4-methylphenyl)sulfonylamino]carbamate
PubChem CID795389
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl N-[(4-methylphenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O4S/c1-7-3-5-8(6-4-7)16(13,14)11-10-9(12)15-2/h3-6,11H,1-2H3,(H,10,12)
InChIKeyGOBCGGVCKHZJJE-UHFFFAOYSA-N
XLogP0.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
methyl N-[[4-(3-methylbutyl)phenyl]sulfonylamino]carbamate
CID 39769688
methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8501036
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
methyl N-[(4-methylphenyl)sulfonylamino]carbamodithioate
CID 11065699
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 165343411
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
N-cyclopropyl-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841174
(2E)-2-ethoxyimino-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 54606442

Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-methylphenyl)sulfonylamino]carbamate?
The IUPAC name of methyl N-[(4-methylphenyl)sulfonylamino]carbamate (CID 795389) is methyl N-[(4-methylphenyl)sulfonylamino]carbamate.
What is the SMILES notation for methyl N-[(4-methylphenyl)sulfonylamino]carbamate?
The canonical SMILES for methyl N-[(4-methylphenyl)sulfonylamino]carbamate is COC(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N-[(4-methylphenyl)sulfonylamino]carbamate?
The InChIKey is GOBCGGVCKHZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-7-3-5-8(6-4-7)16(13,14)11-10-9(12)15-2/h3-6,11H,1-2H3,(H,10,12).
What are the key properties of methyl N-[(4-methylphenyl)sulfonylamino]carbamate?
methyl N-[(4-methylphenyl)sulfonylamino]carbamate has a molecular weight of 244.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-methylphenyl)sulfonylamino]carbamate is sourced from PubChem (CID 795389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).