N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide

C12H12Cl2N2O3S — CID 107372024

IUPACN-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1CO
InChIInChI=1S/C12H12Cl2N2O3S/c1-16-6-10(5-9(16)7-17)20(18,19)15-12-3-2-8(13)4-11(12)14/h2-6,15,17H,7H2,1H3
InChIKeySCSBOTRRRNDQKT-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.62
Rot. Bonds4

About N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide

N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 107372024) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
PubChem CID107372024
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC NameN-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1CO
InChIInChI=1S/C12H12Cl2N2O3S/c1-16-6-10(5-9(16)7-17)20(18,19)15-12-3-2-8(13)4-11(12)14/h2-6,15,17H,7H2,1H3
InChIKeySCSBOTRRRNDQKT-UHFFFAOYSA-N
XLogP2.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106006784
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106060823
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106087626
N-(2,4-dichlorophenyl)-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 107380788
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
5-(hydroxymethyl)-1-methyl-N-(2,3,3-trimethylbutyl)pyrrole-3-sulfonamide
CID 83147385
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
CID 106028967

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide (CID 107372024) is N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1CO.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is SCSBOTRRRNDQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-16-6-10(5-9(16)7-17)20(18,19)15-12-3-2-8(13)4-11(12)14/h2-6,15,17H,7H2,1H3.
What are the key properties of N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide?
N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 335.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 107372024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).