N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide

C13H20BrN3O3S — CID 61254577

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(Br)cc1CN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20BrN3O3S/c1-16(21(18,19)17-7-5-15-6-8-17)10-11-9-12(14)3-4-13(11)20-2/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyJRSHFWYTRRTFEV-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.04
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide

N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 61254577) has the molecular formula C13H20BrN3O3S and a molecular weight of 378.29 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
PubChem CID61254577
Molecular FormulaC13H20BrN3O3S
Molecular Weight378.29 g/mol
Exact Mass377.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(Br)cc1CN(C)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C13H20BrN3O3S/c1-16(21(18,19)17-7-5-15-6-8-17)10-11-9-12(14)3-4-13(11)20-2/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyJRSHFWYTRRTFEV-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
5-bromo-2-methoxy-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229876
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
2-(5-bromo-2-methoxyphenyl)-1-piperidin-4-ylethanone
CID 116547696
1-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]pyrrolidine-2,5-dione
CID 2663779
N-(2-methoxyethyl)-N-methylpiperazine-1-sulfonamide
CID 61252200
N-(4-bromophenyl)-N-propylpiperazine-1-sulfonamide
CID 164863788
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepan-2-one
CID 65361687
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide (CID 61254577) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide is COc1ccc(Br)cc1CN(C)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is JRSHFWYTRRTFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S/c1-16(21(18,19)17-7-5-15-6-8-17)10-11-9-12(14)3-4-13(11)20-2/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 61254577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).