5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide

C13H17ClN2O2S2 — CID 79493978

IUPAC5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1c[nH]c(CCl)c1
InChIInChI=1S/C13H17ClN2O2S2/c1-10(6-12-4-3-5-19-12)16(2)20(17,18)13-7-11(8-14)15-9-13/h3-5,7,9-10,15H,6,8H2,1-2H3
InChIKeyOKLCDKYSJODBDQ-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.07
Rot. Bonds6

About 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide

5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 79493978) has the molecular formula C13H17ClN2O2S2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID79493978
Molecular FormulaC13H17ClN2O2S2
Molecular Weight332.88 g/mol
Exact Mass332.04
IUPAC Name5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1c[nH]c(CCl)c1
InChIInChI=1S/C13H17ClN2O2S2/c1-10(6-12-4-3-5-19-12)16(2)20(17,18)13-7-11(8-14)15-9-13/h3-5,7,9-10,15H,6,8H2,1-2H3
InChIKeyOKLCDKYSJODBDQ-UHFFFAOYSA-N
XLogP3.07
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 79489710
4-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 79489676
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide (CID 79493978) is 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1c[nH]c(CCl)c1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OKLCDKYSJODBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S2/c1-10(6-12-4-3-5-19-12)16(2)20(17,18)13-7-11(8-14)15-9-13/h3-5,7,9-10,15H,6,8H2,1-2H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide?
5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 332.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 79493978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).