1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride

C14H23ClN2O3S — CID 114611399

IUPAC1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCC(CC)C(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C14H23ClN2O3S/c1-5-11(6-2)10(4)16-14(18)13-8-12(21(15,19)20)9-17(13)7-3/h8-11H,5-7H2,1-4H3,(H,16,18)
InChIKeyRSRVSXYTPPJXMB-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.99
Rot. Bonds7

About 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride

1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611399) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114611399
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCC(CC)C(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C14H23ClN2O3S/c1-5-11(6-2)10(4)16-14(18)13-8-12(21(15,19)20)9-17(13)7-3/h8-11H,5-7H2,1-4H3,(H,16,18)
InChIKeyRSRVSXYTPPJXMB-UHFFFAOYSA-N
XLogP2.99
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390
3-methylbutan-2-yl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611837
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
3-methylbutyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611749
4-methylpentyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611769
2-methylpentyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 103286133
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114611399) is 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride is CCC(CC)C(C)NC(=O)c1cc(S(=O)(=O)Cl)cn1CC.
What is the InChIKey of 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is RSRVSXYTPPJXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-5-11(6-2)10(4)16-14(18)13-8-12(21(15,19)20)9-17(13)7-3/h8-11H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 334.87 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).