N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride

C14H26ClN3O4S2 — CID 119990180

IUPACN-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C14H25N3O4S2.ClH/c1-3-14(15,4-2)12-17-22(18,19)11-10-16-23(20,21)13-8-6-5-7-9-13;/h5-9,16-17H,3-4,10-12,15H2,1-2H3;1H
InChIKeyHFRDCAFEOURPLX-UHFFFAOYSA-N
MW399.97 g/mol
LogP0.82
Rot. Bonds10

About N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride

N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119990180) has the molecular formula C14H26ClN3O4S2 and a molecular weight of 399.97 g/mol. Its IUPAC name is N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
PubChem CID119990180
Molecular FormulaC14H26ClN3O4S2
Molecular Weight399.97 g/mol
Exact Mass399.11
IUPAC NameN-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C14H25N3O4S2.ClH/c1-3-14(15,4-2)12-17-22(18,19)11-10-16-23(20,21)13-8-6-5-7-9-13;/h5-9,16-17H,3-4,10-12,15H2,1-2H3;1H
InChIKeyHFRDCAFEOURPLX-UHFFFAOYSA-N
XLogP0.82
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N-[2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]ethyl]benzenesulfonamide
CID 119975856
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-[3-(aminomethyl)-3-ethylpentyl]benzenesulfonamide
CID 173233939
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
CID 119990108
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-tridecylbenzenesulfonamide
CID 3514704
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride (CID 119990180) is N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is HFRDCAFEOURPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S2.ClH/c1-3-14(15,4-2)12-17-22(18,19)11-10-16-23(20,21)13-8-6-5-7-9-13;/h5-9,16-17H,3-4,10-12,15H2,1-2H3;1H.
What are the key properties of N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride?
N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 399.97 g/mol, XLogP of 0.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-ethylbutyl)sulfamoyl]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119990180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).