N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide

C11H15BrClNO3S — CID 82861104

IUPACN-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)CC(C)CCl)ccc1Br
InChIInChI=1S/C11H15BrClNO3S/c1-8(6-13)7-18(15,16)14-9-3-4-10(12)11(5-9)17-2/h3-5,8,14H,6-7H2,1-2H3
InChIKeySDHLANFBOXSCQM-UHFFFAOYSA-N
MW356.67 g/mol
LogP3.07
Rot. Bonds6

About N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide

N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide (PubChem CID 82861104) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
PubChem CID82861104
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC NameN-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)CC(C)CCl)ccc1Br
InChIInChI=1S/C11H15BrClNO3S/c1-8(6-13)7-18(15,16)14-9-3-4-10(12)11(5-9)17-2/h3-5,8,14H,6-7H2,1-2H3
InChIKeySDHLANFBOXSCQM-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 53.07
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

3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
N-(4-bromo-3-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076643
N-(4-bromo-3-methoxyphenyl)-1-(propylamino)propane-2-sulfonamide
CID 106076653
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide (CID 82861104) is N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide is COc1cc(NS(=O)(=O)CC(C)CCl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
The InChIKey is SDHLANFBOXSCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-8(6-13)7-18(15,16)14-9-3-4-10(12)11(5-9)17-2/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide?
N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide has a molecular weight of 356.67 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 82861104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).