N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide

C13H19BrN2O3S — CID 116652162

IUPACN-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-16(12(8-15)9-3-4-9)20(17,18)10-5-6-13(19-2)11(14)7-10/h5-7,9,12H,3-4,8,15H2,1-2H3
InChIKeyHWYMDBYNDHMMHP-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.82
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 116652162) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
PubChem CID116652162
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1Br
InChIInChI=1S/C13H19BrN2O3S/c1-16(12(8-15)9-3-4-9)20(17,18)10-5-6-13(19-2)11(14)7-10/h5-7,9,12H,3-4,8,15H2,1-2H3
InChIKeyHWYMDBYNDHMMHP-UHFFFAOYSA-N
XLogP1.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 116652179
N-(2-amino-1-cyclopropylethyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 116652197
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 116652152
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
N-(2-amino-1-cyclopropylethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 116652129
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
3-bromo-4-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115897747
N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
3-bromo-4-methoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61060027
3-bromo-4-methoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297854
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
N-(2-amino-1-cyclopropylethyl)-4-bromo-3-methoxybenzenesulfonamide;hydrochloride
CID 119986999

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide (CID 116652162) is N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(CN)C2CC2)cc1Br.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is HWYMDBYNDHMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-16(12(8-15)9-3-4-9)20(17,18)10-5-6-13(19-2)11(14)7-10/h5-7,9,12H,3-4,8,15H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 116652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).