methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate

C11H17ClN2O4S — CID 121294803

IUPACmethyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
SMILESCC[C@@H](C)NS(=O)(=O)c1cn(C)c(C(=O)OC)c1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-5-7(2)13-19(16,17)8-6-14(3)10(9(8)12)11(15)18-4/h6-7,13H,5H2,1-4H3/t7-/m1/s1
InChIKeySTWANZJQZJPOIW-SSDOTTSWSA-N
MW308.79 g/mol
LogP1.54
Rot. Bonds5

About methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate

methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate (PubChem CID 121294803) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
PubChem CID121294803
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Namemethyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate
SMILESCC[C@@H](C)NS(=O)(=O)c1cn(C)c(C(=O)OC)c1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-5-7(2)13-19(16,17)8-6-14(3)10(9(8)12)11(15)18-4/h6-7,13H,5H2,1-4H3/t7-/m1/s1
InChIKeySTWANZJQZJPOIW-SSDOTTSWSA-N
XLogP1.54
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-chloro-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 118295499
methyl 3-chloro-4-[(3,3-difluoro-1-methylcyclobutyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 118295547
methyl 3-bromo-4-(but-3-en-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 140762726
methyl 3-chloro-4-chlorosulfonyl-1-propan-2-ylpyrrole-2-carboxylate
CID 121294870
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 3-bromo-1-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrrole-2-carboxylate
CID 121294844
N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
CID 45100351
ethyl 3-chloro-4-chlorosulfonyl-1-methylpyrrole-2-carboxylate;ethyl 3-chloro-1-methyl-4-sulfamoylpyrrole-2-carboxylate;methane
CID 158210903
4-chloro-1,5-dimethyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyrrole-3-sulfonamide
CID 158478306
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-chloro-1-methylpyrrole-2-carbonyl chloride
CID 153333841

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate (CID 121294803) is methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate is CC[C@@H](C)NS(=O)(=O)c1cn(C)c(C(=O)OC)c1Cl.
What is the InChIKey of methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?
The InChIKey is STWANZJQZJPOIW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-5-7(2)13-19(16,17)8-6-14(3)10(9(8)12)11(15)18-4/h6-7,13H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate?
methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate has a molecular weight of 308.79 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-butan-2-yl]sulfamoyl]-3-chloro-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 121294803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).