5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide

C11H10BrF2N3O2S — CID 106066663

IUPAC5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1
InChIInChI=1S/C11H10BrF2N3O2S/c12-6-1-9(13)11(10(14)2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyCOEHQTAOBYFXNU-UHFFFAOYSA-N
MW366.19 g/mol
LogP2.31
Rot. Bonds4

About 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106066663) has the molecular formula C11H10BrF2N3O2S and a molecular weight of 366.19 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID106066663
Molecular FormulaC11H10BrF2N3O2S
Molecular Weight366.19 g/mol
Exact Mass364.96
IUPAC Name5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1
InChIInChI=1S/C11H10BrF2N3O2S/c12-6-1-9(13)11(10(14)2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyCOEHQTAOBYFXNU-UHFFFAOYSA-N
XLogP2.31
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106074619
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106065156
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-N-(3-iodophenyl)-1H-pyrrole-3-sulfonamide
CID 114138720
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide (CID 106066663) is 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2c(F)cc(Br)cc2F)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is COEHQTAOBYFXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O2S/c12-6-1-9(13)11(10(14)2-6)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2.
What are the key properties of 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 366.19 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106066663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).