N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride

C14H25ClN2O4S2 — CID 119991572

IUPACN-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(C)(C)CN)c1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-5-21(17,18)12-7-6-8-13(9-12)22(19,20)16(4)11-14(2,3)10-15;/h6-9H,5,10-11,15H2,1-4H3;1H
InChIKeyRNERQVHJBHXDDO-UHFFFAOYSA-N
MW384.95 g/mol
LogP1.51
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 119991572) has the molecular formula C14H25ClN2O4S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
PubChem CID119991572
Molecular FormulaC14H25ClN2O4S2
Molecular Weight384.95 g/mol
Exact Mass384.09
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(C)(C)CN)c1.Cl
InChIInChI=1S/C14H24N2O4S2.ClH/c1-5-21(17,18)12-7-6-8-13(9-12)22(19,20)16(4)11-14(2,3)10-15;/h6-9H,5,10-11,15H2,1-4H3;1H
InChIKeyRNERQVHJBHXDDO-UHFFFAOYSA-N
XLogP1.51
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-iodo-N-methylbenzenesulfonamide;hydrochloride
CID 119991890
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-methylbenzenesulfonamide
CID 79652238
N-(3-amino-2,2-dimethylpropyl)-3-cyano-N-methylbenzenesulfonamide
CID 79652328
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-phenylbenzenesulfonamide;hydrochloride
CID 119991804
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
3-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119991864
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645
N-(3-amino-2,2-dimethylpropyl)-3,5-difluoro-N-methylbenzenesulfonamide
CID 79653372
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,3,5-trimethylbenzenesulfonamide;hydrochloride
CID 119991563
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 79645778

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride (CID 119991572) is N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride is CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is RNERQVHJBHXDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2.ClH/c1-5-21(17,18)12-7-6-8-13(9-12)22(19,20)16(4)11-14(2,3)10-15;/h6-9H,5,10-11,15H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-ethylsulfonyl-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).