2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide

C12H16BrN3O2S — CID 103838013

IUPAC2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C12H16BrN3O2S/c13-9-5-10(11(14)15-6-9)19(17,18)16-7-12(3-4-12)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15)
InChIKeyOUGYOSIXPIVFGS-UHFFFAOYSA-N
MW346.25 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide (PubChem CID 103838013) has the molecular formula C12H16BrN3O2S and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
PubChem CID103838013
Molecular FormulaC12H16BrN3O2S
Molecular Weight346.25 g/mol
Exact Mass345.01
IUPAC Name2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCC1(C2CC2)CC1
InChIInChI=1S/C12H16BrN3O2S/c13-9-5-10(11(14)15-6-9)19(17,18)16-7-12(3-4-12)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15)
InChIKeyOUGYOSIXPIVFGS-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-[(1-propylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103823892
2-amino-5-bromo-N-[[1-(2-methylpropylamino)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 174698725
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 62147179
5-bromo-3-(cyclopropylmethylsulfonyl)pyridin-2-amine
CID 158819540
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
2-amino-5-bromo-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 55102157
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 62147918
2-amino-5-bromo-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 62164202
5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114096142
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide (CID 103838013) is 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCC1(C2CC2)CC1.
What is the InChIKey of 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide?
The InChIKey is OUGYOSIXPIVFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2S/c13-9-5-10(11(14)15-6-9)19(17,18)16-7-12(3-4-12)8-1-2-8/h5-6,8,16H,1-4,7H2,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide has a molecular weight of 346.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103838013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).