1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride

C13H19ClN2O3S — CID 114610992

IUPAC1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCC(C)CNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)7-15-13(17)12-6-11(20(14,18)19)8-16(12)10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyBJFVLCKGGMCKSI-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.53
Rot. Bonds5

About 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride

1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114610992) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114610992
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCC(C)CNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1
InChIInChI=1S/C13H19ClN2O3S/c1-9(2)7-15-13(17)12-6-11(20(14,18)19)8-16(12)10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3,(H,15,17)
InChIKeyBJFVLCKGGMCKSI-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611033
1-cyclobutyl-5-[2,2-difluoroethyl(methyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611604
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114610892
1-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971
5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611549
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114610992) is 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride is CC(C)CNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is BJFVLCKGGMCKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9(2)7-15-13(17)12-6-11(20(14,18)19)8-16(12)10-4-3-5-10/h6,8-10H,3-5,7H2,1-2H3,(H,15,17).
What are the key properties of 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 318.83 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114610992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).