(4-methylphenyl) N-phenoxysulfonylcarbamate

C14H13NO5S — CID 142655832

IUPAC(4-methylphenyl) N-phenoxysulfonylcarbamate
SMILESCc1ccc(OC(=O)NS(=O)(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO5S/c1-11-7-9-12(10-8-11)19-14(16)15-21(17,18)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)
InChIKeyPBDBCCJLYLRCPU-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.41
Rot. Bonds4

About (4-methylphenyl) N-phenoxysulfonylcarbamate

(4-methylphenyl) N-phenoxysulfonylcarbamate (PubChem CID 142655832) has the molecular formula C14H13NO5S and a molecular weight of 307.33 g/mol. Its IUPAC name is (4-methylphenyl) N-phenoxysulfonylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-phenoxysulfonylcarbamate
PubChem CID142655832
Molecular FormulaC14H13NO5S
Molecular Weight307.33 g/mol
Exact Mass307.05
IUPAC Name(4-methylphenyl) N-phenoxysulfonylcarbamate
SMILESCc1ccc(OC(=O)NS(=O)(=O)Oc2ccccc2)cc1
InChIInChI=1S/C14H13NO5S/c1-11-7-9-12(10-8-11)19-14(16)15-21(17,18)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16)
InChIKeyPBDBCCJLYLRCPU-UHFFFAOYSA-N
XLogP2.41
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl) N-butanoylsulfamate
CID 12045636
phenyl N-benzoylsulfamate
CID 165129244
(4-methylphenyl) N-benzylcarbamate
CID 14292552
phenyl N-butanoylsulfamate
CID 67481345
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
[4-[4-[(4-methylphenyl)carbamoyloxy]phenyl]sulfonylphenyl] N-(4-methylphenyl)carbamate
CID 5112420
methyl N-(4-acetylphenoxy)sulfonylcarbamate
CID 100917262
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
(4-methylphenyl) hydrogen carbonate
CID 19016637
phenyl N-phenoxycarbonylcarbamate
CID 11043392
(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10834516
phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate
CID 89357894

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-phenoxysulfonylcarbamate?
The IUPAC name of (4-methylphenyl) N-phenoxysulfonylcarbamate (CID 142655832) is (4-methylphenyl) N-phenoxysulfonylcarbamate.
What is the SMILES notation for (4-methylphenyl) N-phenoxysulfonylcarbamate?
The canonical SMILES for (4-methylphenyl) N-phenoxysulfonylcarbamate is Cc1ccc(OC(=O)NS(=O)(=O)Oc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) N-phenoxysulfonylcarbamate?
The InChIKey is PBDBCCJLYLRCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5S/c1-11-7-9-12(10-8-11)19-14(16)15-21(17,18)20-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,16).
What are the key properties of (4-methylphenyl) N-phenoxysulfonylcarbamate?
(4-methylphenyl) N-phenoxysulfonylcarbamate has a molecular weight of 307.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-phenoxysulfonylcarbamate is sourced from PubChem (CID 142655832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).