4-(3-aminopentylamino)benzenesulfonamide

C11H19N3O2S — CID 113498131

IUPAC4-(3-aminopentylamino)benzenesulfonamide
SMILESCCC(N)CCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-2-9(12)7-8-14-10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyFIIGYXNJTGKEOS-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.87
Rot. Bonds6

About 4-(3-aminopentylamino)benzenesulfonamide

4-(3-aminopentylamino)benzenesulfonamide (PubChem CID 113498131) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(3-aminopentylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminopentylamino)benzenesulfonamide
PubChem CID113498131
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-(3-aminopentylamino)benzenesulfonamide
SMILESCCC(N)CCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H19N3O2S/c1-2-9(12)7-8-14-10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16)
InChIKeyFIIGYXNJTGKEOS-UHFFFAOYSA-N
XLogP0.87
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
CID 106244328
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[[4-(octadecylamino)phenyl]diazenyl]benzenesulfonamide
CID 71335414
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
4-[(2-amino-2-cyclopropylethyl)amino]benzenesulfonamide
CID 63760437
4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
CID 114943074
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopentylamino)benzenesulfonamide?
The IUPAC name of 4-(3-aminopentylamino)benzenesulfonamide (CID 113498131) is 4-(3-aminopentylamino)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminopentylamino)benzenesulfonamide?
The canonical SMILES for 4-(3-aminopentylamino)benzenesulfonamide is CCC(N)CCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3-aminopentylamino)benzenesulfonamide?
The InChIKey is FIIGYXNJTGKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-9(12)7-8-14-10-3-5-11(6-4-10)17(13,15)16/h3-6,9,14H,2,7-8,12H2,1H3,(H2,13,15,16).
What are the key properties of 4-(3-aminopentylamino)benzenesulfonamide?
4-(3-aminopentylamino)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopentylamino)benzenesulfonamide is sourced from PubChem (CID 113498131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).