3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide

C10H13BrClNO4S — CID 43502221

IUPAC3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)CO
InChIInChI=1S/C10H13BrClNO4S/c1-6(5-14)13-18(15,16)9-4-7(12)3-8(11)10(9)17-2/h3-4,6,13-14H,5H2,1-2H3
InChIKeyWPFUPXNAIOCQJS-UHFFFAOYSA-N
MW358.64 g/mol
LogP1.77
Rot. Bonds5

About 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide

3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 43502221) has the molecular formula C10H13BrClNO4S and a molecular weight of 358.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID43502221
Molecular FormulaC10H13BrClNO4S
Molecular Weight358.64 g/mol
Exact Mass356.94
IUPAC Name3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)CO
InChIInChI=1S/C10H13BrClNO4S/c1-6(5-14)13-18(15,16)9-4-7(12)3-8(11)10(9)17-2/h3-4,6,13-14H,5H2,1-2H3
InChIKeyWPFUPXNAIOCQJS-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzenesulfonamide
CID 61247098
3-bromo-5-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 55544609
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
3-bromo-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 103836067
N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119980791
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
3-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894158
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
3-bromo-5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 60534190
3-bromo-5-chloro-2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 112812715
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide (CID 43502221) is 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NC(C)CO.
What is the InChIKey of 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is WPFUPXNAIOCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO4S/c1-6(5-14)13-18(15,16)9-4-7(12)3-8(11)10(9)17-2/h3-4,6,13-14H,5H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 358.64 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43502221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).