2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide

C15H19Br2NO2S — CID 81435152

IUPAC2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(CC2CC2)CC2CC2)cc1Br
InChIInChI=1S/C15H19Br2NO2S/c1-10-6-14(17)15(7-13(10)16)21(19,20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyDDZANUUKYAUCSW-UHFFFAOYSA-N
MW437.20 g/mol
LogP4.33
Rot. Bonds6

About 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide

2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide (PubChem CID 81435152) has the molecular formula C15H19Br2NO2S and a molecular weight of 437.20 g/mol. Its IUPAC name is 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
PubChem CID81435152
Molecular FormulaC15H19Br2NO2S
Molecular Weight437.20 g/mol
Exact Mass434.95
IUPAC Name2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)N(CC2CC2)CC2CC2)cc1Br
InChIInChI=1S/C15H19Br2NO2S/c1-10-6-14(17)15(7-13(10)16)21(19,20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9H2,1H3
InChIKeyDDZANUUKYAUCSW-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.20
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-bromo-N,N-bis(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 106491819
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
2,5-dibromo-N-cyclopropyl-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 80708665
2,5-dibromo-N-(2-cyanoethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 80708752
3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
2-bromo-5-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 114363633
2-[butyl-(2,5-dibromo-4-methylphenyl)sulfonylamino]acetamide
CID 80711575
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
4-chloro-1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidine
CID 81326731

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide (CID 81435152) is 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)N(CC2CC2)CC2CC2)cc1Br.
What is the InChIKey of 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is DDZANUUKYAUCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO2S/c1-10-6-14(17)15(7-13(10)16)21(19,20)18(8-11-2-3-11)9-12-4-5-12/h6-7,11-12H,2-5,8-9H2,1H3.
What are the key properties of 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 437.20 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81435152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).