propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate

C10H14ClN3O4S — CID 114050687

IUPACpropan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
SMILESCc1cnc(Cl)c(NS(=O)(=O)NC(=O)OC(C)C)c1
InChIInChI=1S/C10H14ClN3O4S/c1-6(2)18-10(15)14-19(16,17)13-8-4-7(3)5-12-9(8)11/h4-6,13H,1-3H3,(H,14,15)
InChIKeyMBVOIDGWMJMJJF-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.83
Rot. Bonds4

About propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate

propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate (PubChem CID 114050687) has the molecular formula C10H14ClN3O4S and a molecular weight of 307.76 g/mol. Its IUPAC name is propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
PubChem CID114050687
Molecular FormulaC10H14ClN3O4S
Molecular Weight307.76 g/mol
Exact Mass307.04
IUPAC Namepropan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
SMILESCc1cnc(Cl)c(NS(=O)(=O)NC(=O)OC(C)C)c1
InChIInChI=1S/C10H14ClN3O4S/c1-6(2)18-10(15)14-19(16,17)13-8-4-7(3)5-12-9(8)11/h4-6,13H,1-3H3,(H,14,15)
InChIKeyMBVOIDGWMJMJJF-UHFFFAOYSA-N
XLogP1.83
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.83
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

propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]carbamate
CID 114461679
propan-2-yl N-[(2-chloro-5-cyanophenyl)sulfamoyl]carbamate
CID 114463481
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
2-chloro-6-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114462676
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
propan-2-yl N-[(6-bromo-3-pyridinyl)sulfamoyl]carbamate
CID 114051889
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
propan-2-yl N-[(2-hydroxy-5-methoxyphenyl)sulfamoyl]carbamate
CID 102696028
propan-2-yl N-[(5-cyano-2-methylpyrimidin-4-yl)sulfamoyl]carbamate
CID 110192670
propan-2-yl N-[[2-(bromomethyl)phenyl]sulfamoyl]carbamate
CID 114466730

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate (CID 114050687) is propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate is Cc1cnc(Cl)c(NS(=O)(=O)NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
The InChIKey is MBVOIDGWMJMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S/c1-6(2)18-10(15)14-19(16,17)13-8-4-7(3)5-12-9(8)11/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate has a molecular weight of 307.76 g/mol, XLogP of 1.83, 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-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate is sourced from PubChem (CID 114050687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).