5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide

C14H18FN3O2S — CID 107495787

IUPAC5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)c[nH]1
InChIInChI=1S/C14H18FN3O2S/c1-3-16-8-12-6-13(9-17-12)21(19,20)18-11-5-4-10(2)14(15)7-11/h4-7,9,16-18H,3,8H2,1-2H3
InChIKeyPVQKPCMVTLAHLV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.37
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 107495787) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
PubChem CID107495787
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)c[nH]1
InChIInChI=1S/C14H18FN3O2S/c1-3-16-8-12-6-13(9-17-12)21(19,20)18-11-5-4-10(2)14(15)7-11/h4-7,9,16-18H,3,8H2,1-2H3
InChIKeyPVQKPCMVTLAHLV-UHFFFAOYSA-N
XLogP2.37
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158
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-2-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106018447
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083665
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
4-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 107509170
5-(ethylaminomethyl)-N-(6-methyl-2-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 106086968
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 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide (CID 107495787) is 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is PVQKPCMVTLAHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-16-8-12-6-13(9-17-12)21(19,20)18-11-5-4-10(2)14(15)7-11/h4-7,9,16-18H,3,8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 107495787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).