N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide

C10H12BrCl2NO3S — CID 106185125

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
SMILESCOCC(CBr)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12BrCl2NO3S/c1-17-6-7(5-11)14-18(15,16)8-2-3-9(12)10(13)4-8/h2-4,7,14H,5-6H2,1H3
InChIKeyMTNIBZFKTVDQRH-UHFFFAOYSA-N
MW377.09 g/mol
LogP2.68
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide

N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide (PubChem CID 106185125) has the molecular formula C10H12BrCl2NO3S and a molecular weight of 377.09 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
PubChem CID106185125
Molecular FormulaC10H12BrCl2NO3S
Molecular Weight377.09 g/mol
Exact Mass374.91
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide
SMILESCOCC(CBr)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12BrCl2NO3S/c1-17-6-7(5-11)14-18(15,16)8-2-3-9(12)10(13)4-8/h2-4,7,14H,5-6H2,1H3
InChIKeyMTNIBZFKTVDQRH-UHFFFAOYSA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
N-(1-bromo-3-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 106185109
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
3-bromo-N-(1-bromo-4-methylpentan-2-yl)-4-chlorobenzenesulfonamide
CID 106613118
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)benzenesulfonamide
CID 114151632
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide (CID 106185125) is N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide is COCC(CBr)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is MTNIBZFKTVDQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO3S/c1-17-6-7(5-11)14-18(15,16)8-2-3-9(12)10(13)4-8/h2-4,7,14H,5-6H2,1H3.
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide?
N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 377.09 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 106185125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).