2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide

C15H27N3O2S — CID 107116325

IUPAC2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCC(CC)C(C)Nc1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-12(7-2)11(3)17-13-9-8-10-14(15(13)16)21(19,20)18(4)5/h8-12,17H,6-7,16H2,1-5H3
InChIKeyLANTZDOPJZIOAU-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.76
Rot. Bonds7

About 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107116325) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID107116325
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCC(CC)C(C)Nc1cccc(S(=O)(=O)N(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-12(7-2)11(3)17-13-9-8-10-14(15(13)16)21(19,20)18(4)5/h8-12,17H,6-7,16H2,1-5H3
InChIKeyLANTZDOPJZIOAU-UHFFFAOYSA-N
XLogP2.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-3-(dimethylsulfamoyl)anilino]propanamide
CID 107115830
3-chloro-1-N-(3-ethylpentan-2-yl)benzene-1,2-diamine
CID 104834569
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-3-[(2-ethyl-2-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 107116413
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide (CID 107116325) is 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide is CCC(CC)C(C)Nc1cccc(S(=O)(=O)N(C)C)c1N.
What is the InChIKey of 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is LANTZDOPJZIOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-12(7-2)11(3)17-13-9-8-10-14(15(13)16)21(19,20)18(4)5/h8-12,17H,6-7,16H2,1-5H3.
What are the key properties of 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-ethylpentan-2-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).