4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

C12H13BrN4O3S — CID 103816029

IUPAC4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccnc2Br)cn1C
InChIInChI=1S/C12H13BrN4O3S/c1-14-12(18)10-6-8(7-17(10)2)21(19,20)16-9-4-3-5-15-11(9)13/h3-7,16H,1-2H3,(H,14,18)
InChIKeyNFZLFQSCKQKINB-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.34
Rot. Bonds4

About 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide

4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 103816029) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID103816029
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2cccnc2Br)cn1C
InChIInChI=1S/C12H13BrN4O3S/c1-14-12(18)10-6-8(7-17(10)2)21(19,20)16-9-4-3-5-15-11(9)13/h3-7,16H,1-2H3,(H,14,18)
InChIKeyNFZLFQSCKQKINB-UHFFFAOYSA-N
XLogP1.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 55154114
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
N,1-dimethyl-4-[[3-(propan-2-ylcarbamoylamino)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 39345340
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
4-[[4-[2-(diethylamino)-2-oxoethyl]phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 39333240
4-[(1-hydroxycyclobutyl)methylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115753892
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309
4-[2-(ethylamino)ethylsulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 62664942

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide (CID 103816029) is 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2cccnc2Br)cn1C.
What is the InChIKey of 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is NFZLFQSCKQKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-14-12(18)10-6-8(7-17(10)2)21(19,20)16-9-4-3-5-15-11(9)13/h3-7,16H,1-2H3,(H,14,18).
What are the key properties of 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide?
4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-pyridinyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 103816029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).