1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride

C14H21ClN2O3S — CID 114611154

IUPAC1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCCN(CC)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-8-16(4-2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyKWBXXWCGBNVOPE-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.01
Rot. Bonds6

About 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611154) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611154
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCCN(CC)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1
InChIInChI=1S/C14H21ClN2O3S/c1-3-8-16(4-2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-5-7-11/h9-11H,3-8H2,1-2H3
InChIKeyKWBXXWCGBNVOPE-UHFFFAOYSA-N
XLogP3.01
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611191
1-cyclobutyl-5-[2,2-difluoroethyl(methyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611604
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114610892
5-[cyclopropylmethyl(ethyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65367480
1-cyclopropyl-N-propan-2-yl-N-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612118
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644503
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611154) is 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride is CCCN(CC)C(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is KWBXXWCGBNVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-3-8-16(4-2)14(18)13-9-12(21(15,19)20)10-17(13)11-6-5-7-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).