3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide

C10H12Br2N2O2S — CID 114380174

IUPAC3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C10H12Br2N2O2S/c1-6(11)5-14-17(15,16)10-4-8(12)3-9(13)7(10)2/h3-4,14H,1,5,13H2,2H3
InChIKeyYHRCVUNBPOWJEB-UHFFFAOYSA-N
MW384.09 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide

3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide (PubChem CID 114380174) has the molecular formula C10H12Br2N2O2S and a molecular weight of 384.09 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
PubChem CID114380174
Molecular FormulaC10H12Br2N2O2S
Molecular Weight384.09 g/mol
Exact Mass381.90
IUPAC Name3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
SMILESC=C(Br)CNS(=O)(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C10H12Br2N2O2S/c1-6(11)5-14-17(15,16)10-4-8(12)3-9(13)7(10)2/h3-4,14H,1,5,13H2,2H3
InChIKeyYHRCVUNBPOWJEB-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274860
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-amino-5-bromo-N-(4-hydroxypentyl)-2-methylbenzenesulfonamide
CID 106119259
5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
CID 116530612
3-amino-5-bromo-2-methyl-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 114380334
3-[(3-amino-5-bromo-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 114380127
3-amino-5-bromo-N-(2-butoxyethyl)-2-methylbenzenesulfonamide
CID 114379255
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785
3-amino-5-bromo-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 114378807
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
3-amino-5-bromo-2-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 114379946
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide (CID 114380174) is 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide is C=C(Br)CNS(=O)(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide?
The InChIKey is YHRCVUNBPOWJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2S/c1-6(11)5-14-17(15,16)10-4-8(12)3-9(13)7(10)2/h3-4,14H,1,5,13H2,2H3.
What are the key properties of 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide?
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide has a molecular weight of 384.09 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 114380174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).