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

C10H15Cl3N2O2S — CID 119982527

IUPACN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/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;1H
InChIKeyDVPKFKCVNZMTSZ-UHFFFAOYSA-N
MW333.67 g/mol
LogP2.38
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119982527) has the molecular formula C10H15Cl3N2O2S and a molecular weight of 333.67 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119982527
Molecular FormulaC10H15Cl3N2O2S
Molecular Weight333.67 g/mol
Exact Mass331.99
IUPAC NameN-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C10H14Cl2N2O2S.ClH/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;1H
InChIKeyDVPKFKCVNZMTSZ-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 120710609
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-nitrobenzenesulfonamide
CID 119982875
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572
N-(1-aminopropan-2-yl)-3-bromo-N,2-dimethylbenzenesulfonamide
CID 119983002
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-(1-aminopropan-2-yl)-4-cyano-N-methylbenzenesulfonamide;hydrochloride
CID 119982419
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]-3-chlorobenzoate
CID 119982722

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride (CID 119982527) is N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is DVPKFKCVNZMTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S.ClH/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;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 333.67 g/mol, XLogP of 2.38, 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;hydrochloride is sourced from PubChem (CID 119982527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).