2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C14H15Br2NO2S2 — CID 81435953

IUPAC2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)Cc2sccc2C)cc1Br
InChIInChI=1S/C14H15Br2NO2S2/c1-9-4-5-20-13(9)8-17(3)21(18,19)14-7-11(15)10(2)6-12(14)16/h4-7H,8H2,1-3H3
InChIKeyMWJDBQPXCYMIKW-UHFFFAOYSA-N
MW453.22 g/mol
LogP4.71
Rot. Bonds4

About 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 81435953) has the molecular formula C14H15Br2NO2S2 and a molecular weight of 453.22 g/mol. Its IUPAC name is 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID81435953
Molecular FormulaC14H15Br2NO2S2
Molecular Weight453.22 g/mol
Exact Mass450.89
IUPAC Name2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(C)Cc2sccc2C)cc1Br
InChIInChI=1S/C14H15Br2NO2S2/c1-9-4-5-20-13(9)8-17(3)21(18,19)14-7-11(15)10(2)6-12(14)16/h4-7H,8H2,1-3H3
InChIKeyMWJDBQPXCYMIKW-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.22
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
3-bromo-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652342
2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 134002504
N,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 51249162
2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 61115034
N-[4-methoxy-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 9406654
2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764
N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 61383956

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 81435953) is 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)N(C)Cc2sccc2C)cc1Br.
What is the InChIKey of 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is MWJDBQPXCYMIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2S2/c1-9-4-5-20-13(9)8-17(3)21(18,19)14-7-11(15)10(2)6-12(14)16/h4-7H,8H2,1-3H3.
What are the key properties of 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 453.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 81435953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).