1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride

C13H17ClN2O3S — CID 114610892

IUPAC1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)cn1C1CCC1)N1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-20(18,19)11-8-12(13(17)15-6-1-2-7-15)16(9-11)10-4-3-5-10/h8-10H,1-7H2
InChIKeyDWTBNFOMWYSABI-UHFFFAOYSA-N
MW316.81 g/mol
LogP2.38
Rot. Bonds3

About 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride

1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride (PubChem CID 114610892) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
PubChem CID114610892
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)cn1C1CCC1)N1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-20(18,19)11-8-12(13(17)15-6-1-2-7-15)16(9-11)10-4-3-5-10/h8-10H,1-7H2
InChIKeyDWTBNFOMWYSABI-UHFFFAOYSA-N
XLogP2.38
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114611464
5-(azepane-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367224
1-cyclobutyl-5-[2,2-difluoroethyl(methyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611604
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
oxetan-3-yl 4-chlorosulfonyl-1-cyclopentylpyrrole-2-carboxylate
CID 102608562
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
(4-chloro-1-cyclopropylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 43640269
methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612607

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride (CID 114610892) is 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)cn1C1CCC1)N1CCCC1.
What is the InChIKey of 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
The InChIKey is DWTBNFOMWYSABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-20(18,19)11-8-12(13(17)15-6-1-2-7-15)16(9-11)10-4-3-5-10/h8-10H,1-7H2.
What are the key properties of 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride?
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride has a molecular weight of 316.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114610892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).