2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide

C15H21Br2NO2S — CID 81435568

IUPAC2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCCCCC2C)cc1Br
InChIInChI=1S/C15H21Br2NO2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)15-9-12(16)11(2)8-13(15)17/h8-10,14,18H,3-7H2,1-2H3
InChIKeyDHPCIIVLZHAFQV-UHFFFAOYSA-N
MW439.21 g/mol
LogP4.77
Rot. Bonds3

About 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide (PubChem CID 81435568) has the molecular formula C15H21Br2NO2S and a molecular weight of 439.21 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
PubChem CID81435568
Molecular FormulaC15H21Br2NO2S
Molecular Weight439.21 g/mol
Exact Mass436.97
IUPAC Name2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NC2CCCCCC2C)cc1Br
InChIInChI=1S/C15H21Br2NO2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)15-9-12(16)11(2)8-13(15)17/h8-10,14,18H,3-7H2,1-2H3
InChIKeyDHPCIIVLZHAFQV-UHFFFAOYSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.21
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2-bromocyclopentyl)-4-methylbenzenesulfonamide
CID 81326896
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
5-amino-4-bromo-2-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116530440
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide (CID 81435568) is 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NC2CCCCCC2C)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
The InChIKey is DHPCIIVLZHAFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2S/c1-10-6-4-3-5-7-14(10)18-21(19,20)15-9-12(16)11(2)8-13(15)17/h8-10,14,18H,3-7H2,1-2H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide has a molecular weight of 439.21 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide is sourced from PubChem (CID 81435568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).