5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide

C12H19ClN2O3S — CID 102701378

IUPAC5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CCl)n(C2CC2)c1
InChIInChI=1S/C12H19ClN2O3S/c1-9(18-2)7-14-19(16,17)12-5-11(6-13)15(8-12)10-3-4-10/h5,8-10,14H,3-4,6-7H2,1-2H3
InChIKeyKXNLYUIXILWSDI-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.88
Rot. Bonds7

About 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide

5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide (PubChem CID 102701378) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
PubChem CID102701378
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CCl)n(C2CC2)c1
InChIInChI=1S/C12H19ClN2O3S/c1-9(18-2)7-14-19(16,17)12-5-11(6-13)15(8-12)10-3-4-10/h5,8-10,14H,3-4,6-7H2,1-2H3
InChIKeyKXNLYUIXILWSDI-UHFFFAOYSA-N
XLogP1.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-N-(2,2-difluoroethyl)-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 115409146
N-(2-methoxypropyl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 102701585
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
1-cyclopropyl-N-(1-ethoxypropan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106054197
1-cyclopropyl-N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106067452
1-ethyl-N-(2-methoxypropyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 102701589
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
1-cyclopropyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106082155
5-(chloromethyl)-1-cyclopropyl-N-methyl-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 112667074
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide (CID 102701378) is 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide is COC(C)CNS(=O)(=O)c1cc(CCl)n(C2CC2)c1.
What is the InChIKey of 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide?
The InChIKey is KXNLYUIXILWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-9(18-2)7-14-19(16,17)12-5-11(6-13)15(8-12)10-3-4-10/h5,8-10,14H,3-4,6-7H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide?
5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 102701378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).