2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

C13H17Br2NO2S — CID 60531054

IUPAC2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-2-7-16(9-10-3-4-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZVQLHMCYMFFBJG-UHFFFAOYSA-N
MW411.16 g/mol
LogP4.02
Rot. Bonds6

About 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide

2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (PubChem CID 60531054) has the molecular formula C13H17Br2NO2S and a molecular weight of 411.16 g/mol. Its IUPAC name is 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
PubChem CID60531054
Molecular FormulaC13H17Br2NO2S
Molecular Weight411.16 g/mol
Exact Mass408.93
IUPAC Name2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H17Br2NO2S/c1-2-7-16(9-10-3-4-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyZVQLHMCYMFFBJG-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
2,4-dibromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61059668
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
4-amino-2-cyano-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587527
2,4-dibromo-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301061
4-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62158913
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
2,5-dibromo-N,N-bis(cyclopropylmethyl)-4-methylbenzenesulfonamide
CID 81435152
4-amino-2-[cyclopropylmethyl(propyl)sulfamoyl]benzoic acid
CID 102930997

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide (CID 60531054) is 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
The InChIKey is ZVQLHMCYMFFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2S/c1-2-7-16(9-10-3-4-10)19(17,18)13-6-5-11(14)8-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide?
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide has a molecular weight of 411.16 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 60531054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).