N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide

C14H22Cl2N2O2S — CID 79664332

IUPACN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-5-18(10-14(2,3)9-17)21(19,20)13-7-11(15)6-12(16)8-13/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyASGWJRBDUSVEAB-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.38
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide (PubChem CID 79664332) has the molecular formula C14H22Cl2N2O2S and a molecular weight of 353.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
PubChem CID79664332
Molecular FormulaC14H22Cl2N2O2S
Molecular Weight353.32 g/mol
Exact Mass352.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H22Cl2N2O2S/c1-4-5-18(10-14(2,3)9-17)21(19,20)13-7-11(15)6-12(16)8-13/h6-8H,4-5,9-10,17H2,1-3H3
InChIKeyASGWJRBDUSVEAB-UHFFFAOYSA-N
XLogP3.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
CID 79664112
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 80672478
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
CID 79664134
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120712192
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-(3-amino-2,2-dimethylpropyl)-N-propyl-1H-imidazole-5-sulfonamide
CID 79668448
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
N-(3-amino-2,2-dimethylpropyl)-2-cyano-N-propylbenzenesulfonamide
CID 79664125

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide (CID 79664332) is N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The InChIKey is ASGWJRBDUSVEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O2S/c1-4-5-18(10-14(2,3)9-17)21(19,20)13-7-11(15)6-12(16)8-13/h6-8H,4-5,9-10,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide has a molecular weight of 353.32 g/mol, XLogP of 3.38, 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)-3,5-dichloro-N-propylbenzenesulfonamide is sourced from PubChem (CID 79664332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).