2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide

C14H24N2O2S — CID 63198012

IUPAC2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
SMILESCCNC(Cc1ccccc1S(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-16-13(14(2,3)4)10-11-8-6-7-9-12(11)19(15,17)18/h6-9,13,16H,5,10H2,1-4H3,(H2,15,17,18)
InChIKeyOIYWBSISAHBASJ-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide

2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide (PubChem CID 63198012) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
PubChem CID63198012
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide
SMILESCCNC(Cc1ccccc1S(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-5-16-13(14(2,3)4)10-11-8-6-7-9-12(11)19(15,17)18/h6-9,13,16H,5,10H2,1-4H3,(H2,15,17,18)
InChIKeyOIYWBSISAHBASJ-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-hydroxypentyl)benzenesulfonamide
CID 63201594
N,3,3-trimethyl-1-(2-propylsulfonylphenyl)butan-2-amine
CID 63198050
2-[2-cyclopropyl-2-(propylamino)ethyl]benzenesulfonamide
CID 63355092
N-ethyl-3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]butan-2-amine
CID 64676244
N-ethyl-1-(2-ethylsulfonylphenyl)propan-2-amine
CID 63200608
N,3,3-trimethyl-1-[2-(trifluoromethylsulfonyl)phenyl]butan-2-amine
CID 63198423
1-[2-(difluoromethylsulfonyl)phenyl]-N,3,3-trimethylbutan-2-amine
CID 63198608
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
1-(2-bromophenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 54891491
N-ethyl-3,3-dimethyl-1-(2-nitrophenyl)sulfonylbutan-2-amine
CID 64646135

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide?
The IUPAC name of 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide (CID 63198012) is 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide is CCNC(Cc1ccccc1S(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide?
The InChIKey is OIYWBSISAHBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16-13(14(2,3)4)10-11-8-6-7-9-12(11)19(15,17)18/h6-9,13,16H,5,10H2,1-4H3,(H2,15,17,18).
What are the key properties of 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide?
2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-3,3-dimethylbutyl]benzenesulfonamide is sourced from PubChem (CID 63198012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).