N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide

C10H10BrNO2S3 — CID 9302453

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H10BrNO2S3/c1-12(7-8-4-5-9(11)16-8)17(13,14)10-3-2-6-15-10/h2-6H,7H2,1H3
InChIKeySYYIJAQMHOIMSV-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide

N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 9302453) has the molecular formula C10H10BrNO2S3 and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID9302453
Molecular FormulaC10H10BrNO2S3
Molecular Weight352.30 g/mol
Exact Mass350.91
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Br)s1)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H10BrNO2S3/c1-12(7-8-4-5-9(11)16-8)17(13,14)10-3-2-6-15-10/h2-6H,7H2,1H3
InChIKeySYYIJAQMHOIMSV-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 9302486
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-[(5-bromothiophen-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823029
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9302463
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide (CID 9302453) is N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1ccc(Br)s1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is SYYIJAQMHOIMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S3/c1-12(7-8-4-5-9(11)16-8)17(13,14)10-3-2-6-15-10/h2-6H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 352.30 g/mol, XLogP of 3.39, 4 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]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 9302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).