2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide

C12H11BrN4O3S — CID 103754216

IUPAC2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C12H11BrN4O3S/c13-11-6-8(4-5-15-11)12(18)16-9-2-1-3-10(7-9)17-21(14,19)20/h1-7,17H,(H,16,18)(H2,14,19,20)
InChIKeyLACXPPHQIBDNTB-UHFFFAOYSA-N
MW371.22 g/mol
LogP1.71
Rot. Bonds4

About 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide

2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide (PubChem CID 103754216) has the molecular formula C12H11BrN4O3S and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
PubChem CID103754216
Molecular FormulaC12H11BrN4O3S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC Name2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C12H11BrN4O3S/c13-11-6-8(4-5-15-11)12(18)16-9-2-1-3-10(7-9)17-21(14,19)20/h1-7,17H,(H,16,18)(H2,14,19,20)
InChIKeyLACXPPHQIBDNTB-UHFFFAOYSA-N
XLogP1.71
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
CID 104741346
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
CID 61130491
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide (CID 103754216) is 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide is NS(=O)(=O)Nc1cccc(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is LACXPPHQIBDNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3S/c13-11-6-8(4-5-15-11)12(18)16-9-2-1-3-10(7-9)17-21(14,19)20/h1-7,17H,(H,16,18)(H2,14,19,20).
What are the key properties of 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide?
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 371.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).