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

C11H10ClF2N3O2S — CID 106074619

IUPAC5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c[nH]1
InChIInChI=1S/C11H10ClF2N3O2S/c12-9-1-6(13)2-10(14)11(9)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyNSLWMDKAOYQDKQ-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.21
Rot. Bonds4

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

5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106074619) has the molecular formula C11H10ClF2N3O2S and a molecular weight of 321.74 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID106074619
Molecular FormulaC11H10ClF2N3O2S
Molecular Weight321.74 g/mol
Exact Mass321.02
IUPAC Name5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c[nH]1
InChIInChI=1S/C11H10ClF2N3O2S/c12-9-1-6(13)2-10(14)11(9)17-20(18,19)8-3-7(4-15)16-5-8/h1-3,5,16-17H,4,15H2
InChIKeyNSLWMDKAOYQDKQ-UHFFFAOYSA-N
XLogP2.21
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264
N-(2-chloro-4,6-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 83088230
6-amino-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83074226
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
N-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083665
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
6-chloro-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 82890177
5-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106065156
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide (CID 106074619) is 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2Cl)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is NSLWMDKAOYQDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O2S/c12-9-1-6(13)2-10(14)11(9)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-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 321.74 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106074619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).