5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide

C14H18FN3O2S — CID 106056111

IUPAC5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)cc1CN
InChIInChI=1S/C14H18FN3O2S/c1-3-18-9-13(7-12(18)8-16)21(19,20)17-11-4-5-14(15)10(2)6-11/h4-7,9,17H,3,8,16H2,1-2H3
InChIKeyLGLSQYCVDUWPBQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.22
Rot. Bonds5

About 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide (PubChem CID 106056111) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
PubChem CID106056111
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)cc1CN
InChIInChI=1S/C14H18FN3O2S/c1-3-18-9-13(7-12(18)8-16)21(19,20)17-11-4-5-14(15)10(2)6-11/h4-7,9,17H,3,8,16H2,1-2H3
InChIKeyLGLSQYCVDUWPBQ-UHFFFAOYSA-N
XLogP2.22
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-ethyl-N-(5-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106087981
5-(aminomethyl)-N-(2-chloro-4-fluorophenyl)-1-ethylpyrrole-3-sulfonamide
CID 106028967
5-(aminomethyl)-N-(4-methoxy-3-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106053271
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176262
5-(aminomethyl)-1-ethyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 106019026
N-[3-(aminomethyl)-4-fluorophenyl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62316776
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
1-ethyl-N-(3-iodophenyl)-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106029526

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide (CID 106056111) is 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide?
The InChIKey is LGLSQYCVDUWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-18-9-13(7-12(18)8-16)21(19,20)17-11-4-5-14(15)10(2)6-11/h4-7,9,17H,3,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-(4-fluoro-3-methylphenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106056111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).