1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride

C11H10ClNO4S2 — CID 86232436

IUPAC1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)n2ccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C11H10ClNO4S2/c1-9-2-4-10(5-3-9)19(16,17)13-7-6-11(8-13)18(12,14)15/h2-8H,1H3
InChIKeyCOJANHGXGABAHS-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.96
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride

1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride (PubChem CID 86232436) has the molecular formula C11H10ClNO4S2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
PubChem CID86232436
Molecular FormulaC11H10ClNO4S2
Molecular Weight319.79 g/mol
Exact Mass318.97
IUPAC Name1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)n2ccc(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C11H10ClNO4S2/c1-9-2-4-10(5-3-9)19(16,17)13-7-6-11(8-13)18(12,14)15/h2-8H,1H3
InChIKeyCOJANHGXGABAHS-UHFFFAOYSA-N
XLogP1.96
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)sulfonylpyrrole-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

1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
fluoromethane;4-methylbenzenesulfonyl chloride
CID 91127409
1-(4-bromophenyl)sulfonyl-3-methylpyrrole
CID 69499935
3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propan-1-ol
CID 10378883
3-[(E)-2-methoxyethenyl]-1-(4-methylphenyl)sulfonylpyrrole
CID 14168434
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
CID 74888827
(E)-3-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]prop-2-enamide
CID 11558345
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
N-[2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]-N-propylpropan-1-amine
CID 14168435
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride?
The IUPAC name of 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride (CID 86232436) is 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride is Cc1ccc(S(=O)(=O)n2ccc(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride?
The InChIKey is COJANHGXGABAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S2/c1-9-2-4-10(5-3-9)19(16,17)13-7-6-11(8-13)18(12,14)15/h2-8H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride?
1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride has a molecular weight of 319.79 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 86232436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).