N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride

C11H18Cl2N2O2S — CID 119982959

IUPACN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-8-6-10(12)4-5-11(8)17(15,16)14(3)9(2)7-13;/h4-6,9H,7,13H2,1-3H3;1H
InChIKeyRPLRAUXERLSLPF-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.04
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119982959) has the molecular formula C11H18Cl2N2O2S and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119982959
Molecular FormulaC11H18Cl2N2O2S
Molecular Weight313.25 g/mol
Exact Mass312.05
IUPAC NameN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H17ClN2O2S.ClH/c1-8-6-10(12)4-5-11(8)17(15,16)14(3)9(2)7-13;/h4-6,9H,7,13H2,1-3H3;1H
InChIKeyRPLRAUXERLSLPF-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.04
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)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride (CID 119982959) is N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride is Cc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is RPLRAUXERLSLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S.ClH/c1-8-6-10(12)4-5-11(8)17(15,16)14(3)9(2)7-13;/h4-6,9H,7,13H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 313.25 g/mol, XLogP of 2.04, 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)-4-chloro-N,2-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119982959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).