3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

C10H15BrN2O3S — CID 115329228

IUPAC3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H15BrN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3
InChIKeyBUTGWIPUWBIVAN-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.03
Rot. Bonds4

About 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide

3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (PubChem CID 115329228) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
PubChem CID115329228
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H15BrN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3
InChIKeyBUTGWIPUWBIVAN-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
2-bromo-5-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271847
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide (CID 115329228) is 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is CC(O)CN(C)S(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is BUTGWIPUWBIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-7(14)6-13(2)17(15,16)8-3-4-9(11)10(12)5-8/h3-5,7,14H,6,12H2,1-2H3.
What are the key properties of 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide?
3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115329228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).