2-[(3-bromophenyl)sulfonylamino]ethyl carbamate

C9H11BrN2O4S — CID 83204442

IUPAC2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13)
InChIKeyCKUPEKRSAKHZDM-UHFFFAOYSA-N
MW323.17 g/mol
LogP0.82
Rot. Bonds5

About 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate

2-[(3-bromophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83204442) has the molecular formula C9H11BrN2O4S and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
PubChem CID83204442
Molecular FormulaC9H11BrN2O4S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Name2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13)
InChIKeyCKUPEKRSAKHZDM-UHFFFAOYSA-N
XLogP0.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 50.82
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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Related Compounds

2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
5-[(3-bromophenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 77036740
2-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 26543777
2-(2-aminoethoxy)ethanol;3-bromobenzenesulfonyl chloride;3-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 160861849
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
2-[[4-(methylamino)phenyl]sulfonylamino]ethyl carbamate
CID 83203795

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate (CID 83204442) is 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is CKUPEKRSAKHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4S/c10-7-2-1-3-8(6-7)17(14,15)12-4-5-16-9(11)13/h1-3,6,12H,4-5H2,(H2,11,13).
What are the key properties of 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate?
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate has a molecular weight of 323.17 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83204442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).