5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide

C13H15ClFN3O2S — CID 106028967

IUPAC5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1CN
InChIInChI=1S/C13H15ClFN3O2S/c1-2-18-8-11(6-10(18)7-16)21(19,20)17-13-4-3-9(15)5-12(13)14/h3-6,8,17H,2,7,16H2,1H3
InChIKeyYJUQXIRRKQEVAO-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.56
Rot. Bonds5

About 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide (PubChem CID 106028967) has the molecular formula C13H15ClFN3O2S and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
PubChem CID106028967
Molecular FormulaC13H15ClFN3O2S
Molecular Weight331.80 g/mol
Exact Mass331.06
IUPAC Name5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1CN
InChIInChI=1S/C13H15ClFN3O2S/c1-2-18-8-11(6-10(18)7-16)21(19,20)17-13-4-3-9(15)5-12(13)14/h3-6,8,17H,2,7,16H2,1H3
InChIKeyYJUQXIRRKQEVAO-UHFFFAOYSA-N
XLogP2.56
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
CID 106056111
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 106029190
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106029213
3-amino-N-(2-chloro-4-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60808125
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
CID 106068913
5-(aminomethyl)-1-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 106019026
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
5-(aminomethyl)-1-ethyl-N-(pyridin-2-ylmethyl)pyrrole-3-sulfonamide
CID 107658144

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide (CID 106028967) is 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide?
The InChIKey is YJUQXIRRKQEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2S/c1-2-18-8-11(6-10(18)7-16)21(19,20)17-13-4-3-9(15)5-12(13)14/h3-6,8,17H,2,7,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide has a molecular weight of 331.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 106028967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).