N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide

C15H18BrNO3S2 — CID 112823029

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1C
InChIInChI=1S/C15H18BrNO3S2/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3
InChIKeyGYIWXOJTMSUUBK-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.96
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide

N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide (PubChem CID 112823029) has the molecular formula C15H18BrNO3S2 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
PubChem CID112823029
Molecular FormulaC15H18BrNO3S2
Molecular Weight404.35 g/mol
Exact Mass402.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1C
InChIInChI=1S/C15H18BrNO3S2/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3
InChIKeyGYIWXOJTMSUUBK-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9302463
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzenesulfonamide
CID 60652378
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 9302486
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 115421383
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
CID 55360576
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide (CID 112823029) is N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide is COc1c(C)cc(S(=O)(=O)N(C)Cc2ccc(Br)s2)cc1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
The InChIKey is GYIWXOJTMSUUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3S2/c1-10-7-13(8-11(2)15(10)20-4)22(18,19)17(3)9-12-5-6-14(16)21-12/h5-8H,9H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide has a molecular weight of 404.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 112823029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).