N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide

C14H16BrN3O2S — CID 62150502

IUPACN-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2S/c1-2-16-14-13(4-3-9-17-14)21(19,20)18-10-11-5-7-12(15)8-6-11/h3-9,18H,2,10H2,1H3,(H,16,17)
InChIKeyFCHAOXOALTWYPZ-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.75
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide

N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62150502) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62150502
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3O2S/c1-2-16-14-13(4-3-9-17-14)21(19,20)18-10-11-5-7-12(15)8-6-11/h3-9,18H,2,10H2,1H3,(H,16,17)
InChIKeyFCHAOXOALTWYPZ-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 55174098
N-[(4-ethylphenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106900712
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 62164717
2-(ethylamino)-N-pentylpyridine-3-sulfonamide
CID 62162989
2-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957448
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62148877
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide (CID 62150502) is N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is FCHAOXOALTWYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-16-14-13(4-3-9-17-14)21(19,20)18-10-11-5-7-12(15)8-6-11/h3-9,18H,2,10H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide?
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62150502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).