5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride

C13H19ClN2O3S — CID 114611416

IUPAC5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C13H19ClN2O3S/c1-3-16-8-11(20(14,18)19)7-12(16)13(17)15-9(2)6-10-4-5-10/h7-10H,3-6H2,1-2H3,(H,15,17)
InChIKeyBNVLRSHBZRNYRQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.35
Rot. Bonds6

About 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride

5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (PubChem CID 114611416) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
PubChem CID114611416
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C13H19ClN2O3S/c1-3-16-8-11(20(14,18)19)7-12(16)13(17)15-9(2)6-10-4-5-10/h7-10H,3-6H2,1-2H3,(H,15,17)
InChIKeyBNVLRSHBZRNYRQ-UHFFFAOYSA-N
XLogP2.35
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
3-methylbutan-2-yl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611837
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63995018

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (CID 114611416) is 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)cc1C(=O)NC(C)CC1CC1.
What is the InChIKey of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The InChIKey is BNVLRSHBZRNYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-3-16-8-11(20(14,18)19)7-12(16)13(17)15-9(2)6-10-4-5-10/h7-10H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride has a molecular weight of 318.83 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).