5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride

C12H17ClN2O3S — CID 114611200

IUPAC5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCC1
InChIInChI=1S/C12H17ClN2O3S/c1-2-15-8-10(19(13,17)18)6-11(15)12(16)14-7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyZFCMLTWTXNLZFO-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.97
Rot. Bonds5

About 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride

5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (PubChem CID 114611200) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
PubChem CID114611200
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCC1
InChIInChI=1S/C12H17ClN2O3S/c1-2-15-8-10(19(13,17)18)6-11(15)12(16)14-7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyZFCMLTWTXNLZFO-UHFFFAOYSA-N
XLogP1.97
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390
1-methyl-5-(oxan-4-ylmethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367238
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
2-cyclobutylethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 106207038
5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611549
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
3-(cyclobutylmethylcarbamoyl)-4,5-dimethylbenzenesulfonyl chloride
CID 65370161
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (CID 114611200) is 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCC1.
What is the InChIKey of 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The InChIKey is ZFCMLTWTXNLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-2-15-8-10(19(13,17)18)6-11(15)12(16)14-7-9-4-3-5-9/h6,8-9H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride has a molecular weight of 304.80 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).