cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate

C13H20N2O4S — CID 114612676

IUPACcyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)OC1CCCCC1
InChIInChI=1S/C13H20N2O4S/c1-2-15-9-11(20(14,17)18)8-12(15)13(16)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H2,14,17,18)
InChIKeyKECLCUPLNBKYHR-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.64
Rot. Bonds4

About cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate

cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate (PubChem CID 114612676) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
PubChem CID114612676
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namecyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate
SMILESCCn1cc(S(N)(=O)=O)cc1C(=O)OC1CCCCC1
InChIInChI=1S/C13H20N2O4S/c1-2-15-9-11(20(14,17)18)8-12(15)13(16)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H2,14,17,18)
InChIKeyKECLCUPLNBKYHR-UHFFFAOYSA-N
XLogP1.64
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl 4-sulfamoyl-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxylate
CID 114612758
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
cyclohexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65397331
cyclopropylmethyl 1-propyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612665
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
1-ethyl-5-(3-ethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 114612465
methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612610
oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
CID 102608651
1-ethyl-N-methyl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612124
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612767

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate?
The IUPAC name of cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate (CID 114612676) is cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate.
What is the SMILES notation for cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate?
The canonical SMILES for cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate is CCn1cc(S(N)(=O)=O)cc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate?
The InChIKey is KECLCUPLNBKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-2-15-9-11(20(14,17)18)8-12(15)13(16)19-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H2,14,17,18).
What are the key properties of cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate?
cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-ethyl-4-sulfamoylpyrrole-2-carboxylate is sourced from PubChem (CID 114612676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).