1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride

C12H17ClN2O4S2 — CID 114611595

IUPAC1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCS(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C12H17ClN2O4S2/c1-2-20(17)6-5-14-12(16)11-7-10(21(13,18)19)8-15(11)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,16)
InChIKeySDWUJJZEQUNSJL-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.25
Rot. Bonds7

About 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611595) has the molecular formula C12H17ClN2O4S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114611595
Molecular FormulaC12H17ClN2O4S2
Molecular Weight352.87 g/mol
Exact Mass352.03
IUPAC Name1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCS(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C12H17ClN2O4S2/c1-2-20(17)6-5-14-12(16)11-7-10(21(13,18)19)8-15(11)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,16)
InChIKeySDWUJJZEQUNSJL-UHFFFAOYSA-N
XLogP1.25
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclopropyl-5-(hexan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611340
1-cyclopropyl-N-(3-methylbutyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611971
1-cyclopropyl-5-[methyl(pentyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611191
5-(2-methylsulfinylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611553
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
3-chloro-5-(2-ethylsulfinylethylcarbamoyl)-4-methylbenzenesulfonyl chloride
CID 107100767
1-cyclopentyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611360
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114611595) is 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride is CCS(=O)CCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is SDWUJJZEQUNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S2/c1-2-20(17)6-5-14-12(16)11-7-10(21(13,18)19)8-15(11)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 352.87 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).