N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

C13H15ClFN3O2S — CID 106083665

IUPACN-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C13H15ClFN3O2S/c1-2-16-7-9-6-10(8-17-9)21(19,20)18-13-11(14)4-3-5-12(13)15/h3-6,8,16-18H,2,7H2,1H3
InChIKeyIHZUQZHCSSUMLP-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.72
Rot. Bonds6

About N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106083665) has the molecular formula C13H15ClFN3O2S and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106083665
Molecular FormulaC13H15ClFN3O2S
Molecular Weight331.80 g/mol
Exact Mass331.06
IUPAC NameN-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)c[nH]1
InChIInChI=1S/C13H15ClFN3O2S/c1-2-16-7-9-6-10(8-17-9)21(19,20)18-13-11(14)4-3-5-12(13)15/h3-6,8,16-18H,2,7H2,1H3
InChIKeyIHZUQZHCSSUMLP-UHFFFAOYSA-N
XLogP2.72
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
5-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(5-chloro-2-methylphenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106031189
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083008

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106083665) is N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)c[nH]1.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is IHZUQZHCSSUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2S/c1-2-16-7-9-6-10(8-17-9)21(19,20)18-13-11(14)4-3-5-12(13)15/h3-6,8,16-18H,2,7H2,1H3.
What are the key properties of N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 331.80 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106083665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).