(4-bromophenyl) N-(sulfonylmethyl)carbamate

C8H6BrNO4S — CID 87609424

IUPAC(4-bromophenyl) N-(sulfonylmethyl)carbamate
SMILESO=C(NC=S(=O)=O)Oc1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO4S/c9-6-1-3-7(4-2-6)14-8(11)10-5-15(12)13/h1-5H,(H,10,11)
InChIKeyYPLKYKHRNGAEML-UHFFFAOYSA-N
MW292.11 g/mol
LogP1.18
Rot. Bonds2

About (4-bromophenyl) N-(sulfonylmethyl)carbamate

(4-bromophenyl) N-(sulfonylmethyl)carbamate (PubChem CID 87609424) has the molecular formula C8H6BrNO4S and a molecular weight of 292.11 g/mol. Its IUPAC name is (4-bromophenyl) N-(sulfonylmethyl)carbamate.

Molecular Properties

Compound Name(4-bromophenyl) N-(sulfonylmethyl)carbamate
PubChem CID87609424
Molecular FormulaC8H6BrNO4S
Molecular Weight292.11 g/mol
Exact Mass290.92
IUPAC Name(4-bromophenyl) N-(sulfonylmethyl)carbamate
SMILESO=C(NC=S(=O)=O)Oc1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO4S/c9-6-1-3-7(4-2-6)14-8(11)10-5-15(12)13/h1-5H,(H,10,11)
InChIKeyYPLKYKHRNGAEML-UHFFFAOYSA-N
XLogP1.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
(4-bromophenyl) N-ethynylcarbamate
CID 118588818
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CID 116819598
(4-bromophenyl) N-(3-aminopropyl)carbamate
CID 116819177
(4-bromophenyl) N-oxamoylcarbamate
CID 171934087
[4-(4-bromophenyl)phenyl] carbamate
CID 151826430
(4-bromophenyl) cycloprop-2-ene-1-carboxylate
CID 175603214
(4-bromophenyl) (E)-4-oxo-4-(prop-2-enylamino)but-2-enoate
CID 91715826
[4-(4-bromobenzoyl)phenyl] prop-2-enoate
CID 67394017
(4-bromophenyl) 4-(4-bromophenoxy)butanoate
CID 14661638
(4-nitrophenyl) N-[(4-bromophenyl)methoxy]carbamate
CID 141294048
(4-bromophenyl) 2,3-dibromo-2-(bromomethyl)butanoate
CID 71381861

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) N-(sulfonylmethyl)carbamate?
The IUPAC name of (4-bromophenyl) N-(sulfonylmethyl)carbamate (CID 87609424) is (4-bromophenyl) N-(sulfonylmethyl)carbamate.
What is the SMILES notation for (4-bromophenyl) N-(sulfonylmethyl)carbamate?
The canonical SMILES for (4-bromophenyl) N-(sulfonylmethyl)carbamate is O=C(NC=S(=O)=O)Oc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl) N-(sulfonylmethyl)carbamate?
The InChIKey is YPLKYKHRNGAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO4S/c9-6-1-3-7(4-2-6)14-8(11)10-5-15(12)13/h1-5H,(H,10,11).
What are the key properties of (4-bromophenyl) N-(sulfonylmethyl)carbamate?
(4-bromophenyl) N-(sulfonylmethyl)carbamate has a molecular weight of 292.11 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) N-(sulfonylmethyl)carbamate is sourced from PubChem (CID 87609424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).