4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide

C14H15BrN2O3S — CID 51320453

IUPAC4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C14H15BrN2O3S/c1-10-7-12(4-5-13(10)15)21(18,19)17-9-11-3-6-14(20-2)16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyKVUZASQADGSKFU-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.64
Rot. Bonds5

About 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide

4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 51320453) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
PubChem CID51320453
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C14H15BrN2O3S/c1-10-7-12(4-5-13(10)15)21(18,19)17-9-11-3-6-14(20-2)16-8-11/h3-8,17H,9H2,1-2H3
InChIKeyKVUZASQADGSKFU-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990223
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
5-cyano-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106268154
4-bromo-N-(2,2-dimethoxyethyl)-3-methylbenzenesulfonamide
CID 60707811
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
4-bromo-N-[(4-methoxyphenyl)methyl]-3-propoxybenzenesulfonamide
CID 91758593

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide (CID 51320453) is 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(Br)c(C)c2)cn1.
What is the InChIKey of 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is KVUZASQADGSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-10-7-12(4-5-13(10)15)21(18,19)17-9-11-3-6-14(20-2)16-8-11/h3-8,17H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide?
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 51320453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).