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

C13H19ClN2O3S — CID 114611207

IUPAC5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H19ClN2O3S/c1-2-16-9-11(20(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyHHVXKZJBNDPEQY-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.36
Rot. Bonds5

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

5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (PubChem CID 114611207) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
PubChem CID114611207
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H19ClN2O3S/c1-2-16-9-11(20(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,17)
InChIKeyHHVXKZJBNDPEQY-UHFFFAOYSA-N
XLogP2.36
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
cyclohexylmethyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611798
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
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
1-ethyl-N-(oxan-2-ylmethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612266
cyclopentylmethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611828
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride (CID 114611207) is 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)cc1C(=O)NCC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
The InChIKey is HHVXKZJBNDPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-2-16-9-11(20(14,18)19)7-12(16)13(17)15-8-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,15,17).
What are the key properties of 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride?
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride has a molecular weight of 318.83 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).