2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate

C10H13BrN2O4S — CID 75442814

IUPAC2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O4S/c1-7-2-3-9(8(11)6-7)18(15,16)13-4-5-17-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyLVSDWNNAGMYCBW-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.13
Rot. Bonds5

About 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate

2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate (PubChem CID 75442814) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate
PubChem CID75442814
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate
SMILESCc1ccc(S(=O)(=O)NCCOC(N)=O)c(Br)c1
InChIInChI=1S/C10H13BrN2O4S/c1-7-2-3-9(8(11)6-7)18(15,16)13-4-5-17-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14)
InChIKeyLVSDWNNAGMYCBW-UHFFFAOYSA-N
XLogP1.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate (CID 75442814) is 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate is Cc1ccc(S(=O)(=O)NCCOC(N)=O)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate?
The InChIKey is LVSDWNNAGMYCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-7-2-3-9(8(11)6-7)18(15,16)13-4-5-17-10(12)14/h2-3,6,13H,4-5H2,1H3,(H2,12,14).
What are the key properties of 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate?
2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate has a molecular weight of 337.20 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 75442814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).