4-amino-3-(octan-4-ylamino)benzenesulfonamide

C14H25N3O2S — CID 106022408

IUPAC4-amino-3-(octan-4-ylamino)benzenesulfonamide
SMILESCCCCC(CCC)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H25N3O2S/c1-3-5-7-11(6-4-2)17-14-10-12(20(16,18)19)8-9-13(14)15/h8-11,17H,3-7,15H2,1-2H3,(H2,16,18,19)
InChIKeySANZDVZLNIATIY-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.69
Rot. Bonds8

About 4-amino-3-(octan-4-ylamino)benzenesulfonamide

4-amino-3-(octan-4-ylamino)benzenesulfonamide (PubChem CID 106022408) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-3-(octan-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(octan-4-ylamino)benzenesulfonamide
PubChem CID106022408
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-amino-3-(octan-4-ylamino)benzenesulfonamide
SMILESCCCCC(CCC)Nc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C14H25N3O2S/c1-3-5-7-11(6-4-2)17-14-10-12(20(16,18)19)8-9-13(14)15/h8-11,17H,3-7,15H2,1-2H3,(H2,16,18,19)
InChIKeySANZDVZLNIATIY-UHFFFAOYSA-N
XLogP2.69
TPSA98.21 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 ≤ 52.69
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-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
N-Methyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 4558331
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Oryzalin metabolite OR-7
CID 121474266
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
3-Amino-n-methyl-4-(methylamino)benzenesulfonamide
CID 274142
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 4841397
3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
CID 43449113
3-(benzylamino)-4-(cyclopentylamino)-N-ethylbenzenesulfonamide
CID 121334891
3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
CID 121334908
3-(benzylamino)-4-(cyclooctylamino)-N-ethylbenzenesulfonamide
CID 121334920

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(octan-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(octan-4-ylamino)benzenesulfonamide (CID 106022408) is 4-amino-3-(octan-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(octan-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(octan-4-ylamino)benzenesulfonamide is CCCCC(CCC)Nc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(octan-4-ylamino)benzenesulfonamide?
The InChIKey is SANZDVZLNIATIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-7-11(6-4-2)17-14-10-12(20(16,18)19)8-9-13(14)15/h8-11,17H,3-7,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-amino-3-(octan-4-ylamino)benzenesulfonamide?
4-amino-3-(octan-4-ylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(octan-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 106022408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).