N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide

C10H10BrN3O2S — CID 115274329

IUPACN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide
SMILESCN(c1cc(Br)ccn1)S(=O)(=O)c1ccc[nH]1
InChIInChI=1S/C10H10BrN3O2S/c1-14(9-7-8(11)4-6-12-9)17(15,16)10-3-2-5-13-10/h2-7,13H,1H3
InChIKeyPRGUEVHLLMBSTL-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.00
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide

N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide (PubChem CID 115274329) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide
PubChem CID115274329
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC NameN-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide
SMILESCN(c1cc(Br)ccn1)S(=O)(=O)c1ccc[nH]1
InChIInChI=1S/C10H10BrN3O2S/c1-14(9-7-8(11)4-6-12-9)17(15,16)10-3-2-5-13-10/h2-7,13H,1H3
InChIKeyPRGUEVHLLMBSTL-UHFFFAOYSA-N
XLogP2.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-pyridinyl)-N,5-dimethylfuran-2-sulfonamide
CID 115274334
(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 115274358
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
3-amino-4-bromo-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 115328693
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 99857782
N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide
CID 115273979
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4994622
2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole
CID 140985118
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide (CID 115274329) is N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide is CN(c1cc(Br)ccn1)S(=O)(=O)c1ccc[nH]1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide?
The InChIKey is PRGUEVHLLMBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c1-14(9-7-8(11)4-6-12-9)17(15,16)10-3-2-5-13-10/h2-7,13H,1H3.
What are the key properties of N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide?
N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide has a molecular weight of 316.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-N-methyl-1H-pyrrole-2-sulfonamide is sourced from PubChem (CID 115274329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).