N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide

C15H25ClN2O2S — CID 79664112

IUPACN-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)14-7-6-13(16)9-12(14)2/h6-7,9H,5,8,10-11,17H2,1-4H3
InChIKeyMGDKMIDSYHGFGN-UHFFFAOYSA-N
MW332.90 g/mol
LogP3.03
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide (PubChem CID 79664112) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
PubChem CID79664112
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C15H25ClN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)14-7-6-13(16)9-12(14)2/h6-7,9H,5,8,10-11,17H2,1-4H3
InChIKeyMGDKMIDSYHGFGN-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide (CID 79664112) is N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(Cl)cc1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide?
The InChIKey is MGDKMIDSYHGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)14-7-6-13(16)9-12(14)2/h6-7,9H,5,8,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide has a molecular weight of 332.90 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 79664112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).