1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride

C10H15ClN2O3S — CID 114610913

IUPAC1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C10H15ClN2O3S/c1-3-5-12-10(14)9-6-8(17(11,15)16)7-13(9)4-2/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWTBHKOGEFKNHAP-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.58
Rot. Bonds5

About 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride

1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114610913) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114610913
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C10H15ClN2O3S/c1-3-5-12-10(14)9-6-8(17(11,15)16)7-13(9)4-2/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWTBHKOGEFKNHAP-UHFFFAOYSA-N
XLogP1.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
3-methylbutan-2-yl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611837
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
2-methylpentyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 103286133

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114610913) is 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride is CCCNC(=O)c1cc(S(=O)(=O)Cl)cn1CC.
What is the InChIKey of 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is WTBHKOGEFKNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-3-5-12-10(14)9-6-8(17(11,15)16)7-13(9)4-2/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 278.76 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114610913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).