4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide

C14H25N3O2S — CID 82900349

IUPAC4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
SMILESCCCCC(C)Nc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C14H25N3O2S/c1-4-6-7-11(3)17-14-10-12(8-9-13(14)15)20(18,19)16-5-2/h8-11,16-17H,4-7,15H2,1-3H3
InChIKeyXWYCIZTUZIEFDN-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.56
Rot. Bonds8

About 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide

4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide (PubChem CID 82900349) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
PubChem CID82900349
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
SMILESCCCCC(C)Nc1cc(S(=O)(=O)NCC)ccc1N
InChIInChI=1S/C14H25N3O2S/c1-4-6-7-11(3)17-14-10-12(8-9-13(14)15)20(18,19)16-5-2/h8-11,16-17H,4-7,15H2,1-3H3
InChIKeyXWYCIZTUZIEFDN-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82901521
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
4-amino-N-methyl-3-(octan-4-ylamino)benzenesulfonamide
CID 106022586
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(5-hydroxypentan-2-ylamino)benzenesulfonamide
CID 82898873
4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-3-(octan-4-ylamino)benzenesulfonamide
CID 106022408
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
CID 82901311
4-amino-N-ethyl-3-(hexan-2-ylamino)benzamide
CID 63358537
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-amino-N-hexan-2-yl-5-methylsulfonylbenzenesulfonamide
CID 62198995
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide (CID 82900349) is 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide is CCCCC(C)Nc1cc(S(=O)(=O)NCC)ccc1N.
What is the InChIKey of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide?
The InChIKey is XWYCIZTUZIEFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-6-7-11(3)17-14-10-12(8-9-13(14)15)20(18,19)16-5-2/h8-11,16-17H,4-7,15H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide?
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 82900349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).