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

C11H17ClN2O2S — CID 119982960

IUPACN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C11H17ClN2O2S/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
InChIKeyWRJGDEVHBOILPA-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.62
Rot. Bonds4

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

N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide (PubChem CID 119982960) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide
PubChem CID119982960
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN
InChIInChI=1S/C11H17ClN2O2S/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
InChIKeyWRJGDEVHBOILPA-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.62
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?
The IUPAC name of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide (CID 119982960) is N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide?
The InChIKey is WRJGDEVHBOILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/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.
What are the key properties of N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-chloro-N,2-dimethylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.62, 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 is sourced from PubChem (CID 119982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).