1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride

C11H17ClN2O3S — CID 65366972

IUPAC1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C11H17ClN2O3S/c1-3-4-5-6-13-11(15)10-7-9(8-14(10)2)18(12,16)17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVSWCLQOAUCWINK-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.87
Rot. Bonds6

About 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride

1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 65366972) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID65366972
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C11H17ClN2O3S/c1-3-4-5-6-13-11(15)10-7-9(8-14(10)2)18(12,16)17/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyVSWCLQOAUCWINK-UHFFFAOYSA-N
XLogP1.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473
1-methyl-5-(3-methylsulfinylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 113488381
1-methyl-5-(octan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366930
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
5-(hexan-3-ylcarbamoyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367186
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 65366972) is 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride is CCCCCNC(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is VSWCLQOAUCWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-3-4-5-6-13-11(15)10-7-9(8-14(10)2)18(12,16)17/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 292.79 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65366972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).