N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide

C11H17ClN2O3S — CID 119982572

IUPACN-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C11H17ClN2O3S/c1-8(7-13)14(2)18(15,16)11-6-9(17-3)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyQSTPKLOQOOGQMH-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.32
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide (PubChem CID 119982572) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
PubChem CID119982572
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)C(C)CN)c1
InChIInChI=1S/C11H17ClN2O3S/c1-8(7-13)14(2)18(15,16)11-6-9(17-3)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3
InChIKeyQSTPKLOQOOGQMH-UHFFFAOYSA-N
XLogP1.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2S)-1-cyanopropan-2-yl]-5-methoxy-N-methylbenzenesulfonamide
CID 95623653
2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
CID 75505544
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]-3-chlorobenzoate
CID 119982722
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
N-(1-aminopropan-2-yl)-2-bromo-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 119982428
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
N-(1-aminopropan-2-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 119982843
ethyl (2S)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]propanoate
CID 95975765
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide (CID 119982572) is N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)N(C)C(C)CN)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide?
The InChIKey is QSTPKLOQOOGQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-8(7-13)14(2)18(15,16)11-6-9(17-3)4-5-10(11)12/h4-6,8H,7,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 119982572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).