N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide

C10H14Cl2N2O2S — CID 119982528

IUPACN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeyPIGJQBVRQZIMHV-UHFFFAOYSA-N
MW297.21 g/mol
LogP1.96
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide (PubChem CID 119982528) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
PubChem CID119982528
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeyPIGJQBVRQZIMHV-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide (CID 119982528) is N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide is CC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide?
The InChIKey is PIGJQBVRQZIMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 119982528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).