propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate

C9H12BrN3O4S — CID 114051889

IUPACpropan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C9H12BrN3O4S/c1-6(2)17-9(14)13-18(15,16)12-7-3-4-8(10)11-5-7/h3-6,12H,1-2H3,(H,13,14)
InChIKeyUWNFPZIMLCPCCS-UHFFFAOYSA-N
MW338.18 g/mol
LogP1.64
Rot. Bonds4

About propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate

propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate (PubChem CID 114051889) has the molecular formula C9H12BrN3O4S and a molecular weight of 338.18 g/mol. Its IUPAC name is propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
PubChem CID114051889
Molecular FormulaC9H12BrN3O4S
Molecular Weight338.18 g/mol
Exact Mass336.97
IUPAC Namepropan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C9H12BrN3O4S/c1-6(2)17-9(14)13-18(15,16)12-7-3-4-8(10)11-5-7/h3-6,12H,1-2H3,(H,13,14)
InChIKeyUWNFPZIMLCPCCS-UHFFFAOYSA-N
XLogP1.64
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
propan-2-yl N-[(3-hydroxy-4-methylphenyl)sulfamoyl]carbamate
CID 114463997
6-bromo-N-(ethylsulfamoyl)pyridin-3-amine
CID 110614761
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
CID 110192670
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(3-carbamimidoylphenyl)sulfamoyl]carbamate
CID 114467292

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate (CID 114051889) is propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)Nc1ccc(Br)nc1.
What is the InChIKey of propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate?
The InChIKey is UWNFPZIMLCPCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O4S/c1-6(2)17-9(14)13-18(15,16)12-7-3-4-8(10)11-5-7/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate?
propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate has a molecular weight of 338.18 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate is sourced from PubChem (CID 114051889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).