1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide

C10H15BrN2O2S — CID 106089270

IUPAC1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)C(C)CN)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-9(11)5-10(4-7)13-16(14,15)8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyWENYQADJTRJDAH-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.85
Rot. Bonds4

About 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide

1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide (PubChem CID 106089270) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
PubChem CID106089270
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)C(C)CN)c1
InChIInChI=1S/C10H15BrN2O2S/c1-7-3-9(11)5-10(4-7)13-16(14,15)8(2)6-12/h3-5,8,13H,6,12H2,1-2H3
InChIKeyWENYQADJTRJDAH-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
1-amino-N-(3-bromo-4-chlorophenyl)propane-2-sulfonamide
CID 106070903
1-amino-N-(2,4-dibromophenyl)propane-2-sulfonamide
CID 106003304
1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide
CID 114932074
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 106087794
N-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
2-N-(3-bromo-5-methylphenyl)-3,5-dimethylhexane-1,2-diamine
CID 114200874
3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
CID 110614187
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
N-(1-aminopropan-2-yl)-3-bromo-N,5-dimethylbenzenesulfonamide
CID 120710578

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide?
The IUPAC name of 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide (CID 106089270) is 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)C(C)CN)c1.
What is the InChIKey of 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide?
The InChIKey is WENYQADJTRJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-7-3-9(11)5-10(4-7)13-16(14,15)8(2)6-12/h3-5,8,13H,6,12H2,1-2H3.
What are the key properties of 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide?
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide is sourced from PubChem (CID 106089270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).