N-[3-(3-aminopropyl)phenyl]benzenesulfonamide

C15H18N2O2S — CID 11849197

IUPACN-[3-(3-aminopropyl)phenyl]benzenesulfonamide
SMILESNCCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c16-11-5-7-13-6-4-8-14(12-13)17-20(18,19)15-9-2-1-3-10-15/h1-4,6,8-10,12,17H,5,7,11,16H2
InChIKeyGTXNQXVWASTZFN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.38
Rot. Bonds6

About N-[3-(3-aminopropyl)phenyl]benzenesulfonamide

N-[3-(3-aminopropyl)phenyl]benzenesulfonamide (PubChem CID 11849197) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)phenyl]benzenesulfonamide
PubChem CID11849197
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[3-(3-aminopropyl)phenyl]benzenesulfonamide
SMILESNCCCc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c16-11-5-7-13-6-4-8-14(12-13)17-20(18,19)15-9-2-1-3-10-15/h1-4,6,8-10,12,17H,5,7,11,16H2
InChIKeyGTXNQXVWASTZFN-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[3-(benzenesulfonamido)phenyl]-4-phenylbutanamide
CID 55706016
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
N-[3-[(3S)-3-hydroxy-6-phenoxyhexyl]phenyl]benzenesulfonamide
CID 175149398
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-[3-(3-oxo-5-phenoxypentyl)phenyl]benzenesulfonamide
CID 175146708

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(3-aminopropyl)phenyl]benzenesulfonamide (CID 11849197) is N-[3-(3-aminopropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(3-aminopropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(3-aminopropyl)phenyl]benzenesulfonamide is NCCCc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(3-aminopropyl)phenyl]benzenesulfonamide?
The InChIKey is GTXNQXVWASTZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-11-5-7-13-6-4-8-14(12-13)17-20(18,19)15-9-2-1-3-10-15/h1-4,6,8-10,12,17H,5,7,11,16H2.
What are the key properties of N-[3-(3-aminopropyl)phenyl]benzenesulfonamide?
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 11849197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).