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

C10H15ClN2O5S2 — CID 65367473

IUPAC1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H15ClN2O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWWCNRFURMWIBOG-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.12
Rot. Bonds6

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

1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 65367473) has the molecular formula C10H15ClN2O5S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID65367473
Molecular FormulaC10H15ClN2O5S2
Molecular Weight342.83 g/mol
Exact Mass342.01
IUPAC Name1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H15ClN2O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWWCNRFURMWIBOG-UHFFFAOYSA-N
XLogP0.12
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
1-methyl-5-(3-methylsulfinylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 113488381
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
1-methyl-5-(oxan-4-ylmethylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367238
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
1-methyl-5-(octan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366930
1-methyl-5-[(2-methylcyclopropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 65367382
5-(hexan-3-ylcarbamoyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65367186
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 65367473) is 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride is Cn1cc(S(=O)(=O)Cl)cc1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is WWCNRFURMWIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 342.83 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).