5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide

C14H18BrN3O2S — CID 106073387

IUPAC5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C14H18BrN3O2S/c1-3-10-6-11(15)4-5-14(10)17-21(19,20)13-7-12(8-16)18(2)9-13/h4-7,9,17H,3,8,16H2,1-2H3
InChIKeyACJASIWRDHAYKB-UHFFFAOYSA-N
MW372.29 g/mol
LogP2.61
Rot. Bonds5

About 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106073387) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106073387
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC Name5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
SMILESCCc1cc(Br)ccc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C14H18BrN3O2S/c1-3-10-6-11(15)4-5-14(10)17-21(19,20)13-7-12(8-16)18(2)9-13/h4-7,9,17H,3,8,16H2,1-2H3
InChIKeyACJASIWRDHAYKB-UHFFFAOYSA-N
XLogP2.61
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-1-methyl-N-(2-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106070192
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
N-(4-bromo-2-ethylphenyl)-3,4-difluorobenzenesulfonamide
CID 19683945
N-(4-bromo-2-ethylphenyl)-3-cyanobenzenesulfonamide
CID 80970330
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide (CID 106073387) is 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide is CCc1cc(Br)ccc1NS(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is ACJASIWRDHAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-3-10-6-11(15)4-5-14(10)17-21(19,20)13-7-12(8-16)18(2)9-13/h4-7,9,17H,3,8,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 372.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106073387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).