N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide

C12H16Br2N2O2S — CID 115307839

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1
InChIInChI=1S/C12H16Br2N2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3
InChIKeyJCLICCVYEROIOD-UHFFFAOYSA-N
MW412.15 g/mol
LogP2.62
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide (PubChem CID 115307839) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
PubChem CID115307839
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1
InChIInChI=1S/C12H16Br2N2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3
InChIKeyJCLICCVYEROIOD-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
CID 119981749
N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
CID 97325646
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 115307924
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
2-[(2,5-dibromophenyl)sulfonylamino]-2-methylpropanethioamide
CID 61119645
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-sulfonamide;hydrochloride
CID 119981675
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
2,5-dibromo-N-(4-propylcyclohexyl)benzenesulfonamide
CID 63420566
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide (CID 115307839) is N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide is CC(CN)(NS(=O)(=O)c1cc(Br)ccc1Br)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide?
The InChIKey is JCLICCVYEROIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide has a molecular weight of 412.15 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 115307839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).