N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C12H13ClFN3O2S — CID 106004740

IUPACN-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c[nH]1
InChIInChI=1S/C12H13ClFN3O2S/c1-15-6-9-4-10(7-16-9)20(18,19)17-8-2-3-11(13)12(14)5-8/h2-5,7,15-17H,6H2,1H3
InChIKeyIPIXAVQEKKQSLI-UHFFFAOYSA-N
MW317.77 g/mol
LogP2.33
Rot. Bonds5

About N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106004740) has the molecular formula C12H13ClFN3O2S and a molecular weight of 317.77 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106004740
Molecular FormulaC12H13ClFN3O2S
Molecular Weight317.77 g/mol
Exact Mass317.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c[nH]1
InChIInChI=1S/C12H13ClFN3O2S/c1-15-6-9-4-10(7-16-9)20(18,19)17-8-2-3-11(13)12(14)5-8/h2-5,7,15-17H,6H2,1H3
InChIKeyIPIXAVQEKKQSLI-UHFFFAOYSA-N
XLogP2.33
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058909
5-(ethylaminomethyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 107495787
N-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106053269
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794
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-(2-chloro-6-fluorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106083665
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
4-[(4-chloro-3-fluorophenyl)sulfamoyl]benzenecarbothioamide
CID 61470137
N-(2-bromo-4-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106042562
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106004740) is N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c[nH]1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is IPIXAVQEKKQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O2S/c1-15-6-9-4-10(7-16-9)20(18,19)17-8-2-3-11(13)12(14)5-8/h2-5,7,15-17H,6H2,1H3.
What are the key properties of N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 317.77 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106004740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).