2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

C15H15Br2NO2S — CID 30328697

IUPAC2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-9-13(16)7-8-14(15)17/h3-9H,10H2,1-2H3
InChIKeyYXHIITSOIYNOHS-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.34
Rot. Bonds4

About 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide

2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 30328697) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID30328697
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-9-13(16)7-8-14(15)17/h3-9H,10H2,1-2H3
InChIKeyYXHIITSOIYNOHS-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
2,4-dibromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61060274
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 30173853
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
2,5-dibromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511312
2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61067597
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 17410036
3-N-methyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-disulfonamide
CID 31070038

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 30328697) is 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is YXHIITSOIYNOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-11-5-3-4-6-12(11)10-18(2)21(19,20)15-9-13(16)7-8-14(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide?
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 30328697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).