phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate

C14H14N2O4S — CID 89357894

IUPACphenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate
SMILESCc1cccc(S(=O)(=O)NC(=O)Oc2ccccc2)c1N
InChIInChI=1S/C14H14N2O4S/c1-10-6-5-9-12(13(10)15)21(18,19)16-14(17)20-11-7-3-2-4-8-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyXTKVGKVZZCOGAW-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.05
Rot. Bonds3

About phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate

phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate (PubChem CID 89357894) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namephenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate
PubChem CID89357894
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namephenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate
SMILESCc1cccc(S(=O)(=O)NC(=O)Oc2ccccc2)c1N
InChIInChI=1S/C14H14N2O4S/c1-10-6-5-9-12(13(10)15)21(18,19)16-14(17)20-11-7-3-2-4-8-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyXTKVGKVZZCOGAW-UHFFFAOYSA-N
XLogP2.05
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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(4-methylphenyl) N-phenoxysulfonylcarbamate
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phenyl N-[2-(1,2-oxazol-5-ylmethoxy)phenyl]sulfonylcarbamate
CID 70495804
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate
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2-methyl-6-(1-phenylethylsulfonyl)aniline
CID 81187771

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate?
The IUPAC name of phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate (CID 89357894) is phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate?
The canonical SMILES for phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate is Cc1cccc(S(=O)(=O)NC(=O)Oc2ccccc2)c1N.
What is the InChIKey of phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate?
The InChIKey is XTKVGKVZZCOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-6-5-9-12(13(10)15)21(18,19)16-14(17)20-11-7-3-2-4-8-11/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate?
phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate has a molecular weight of 306.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 89357894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).