1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride

C9H11ClN2O3S — CID 114611033

IUPAC1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C9H11ClN2O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyLRXQJWLZJUQEPA-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.11
Rot. Bonds3

About 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride

1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611033) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114611033
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1
InChIInChI=1S/C9H11ClN2O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyLRXQJWLZJUQEPA-UHFFFAOYSA-N
XLogP1.11
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611999
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909
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-5-(2-methylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610992
1-cyclopropyl-5-(2-ethylsulfinylethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611595
1-cyclopropyl-5-(3,3-dimethylpyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114611464
1-cyclobutyl-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonyl chloride
CID 114610892
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-cyclobutyl-5-[ethyl(propyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611154
oxetan-3-yl 4-chlorosulfonyl-1-cyclopentylpyrrole-2-carboxylate
CID 102608562

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114611033) is 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride is CNC(=O)c1cc(S(=O)(=O)Cl)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is LRXQJWLZJUQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-11-9(13)8-4-7(16(10,14)15)5-12(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,11,13).
What are the key properties of 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 262.72 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(methylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).