3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H11BrClNO3S — CID 106546351

IUPAC3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO3S/c1-6(5-13)12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyGHXBWOLLZHBMQO-UHFFFAOYSA-N
MW328.62 g/mol
LogP1.76
Rot. Bonds4

About 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 106546351) has the molecular formula C9H11BrClNO3S and a molecular weight of 328.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID106546351
Molecular FormulaC9H11BrClNO3S
Molecular Weight328.62 g/mol
Exact Mass326.93
IUPAC Name3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO3S/c1-6(5-13)12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyGHXBWOLLZHBMQO-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
3-chloro-4-cyano-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 115755311
3-bromo-4-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 106611588
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106606276
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 106546351) is 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is GHXBWOLLZHBMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO3S/c1-6(5-13)12-16(14,15)7-2-3-9(11)8(10)4-7/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 328.62 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106546351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).