4-(2-piperidin-1-ylpropylamino)benzenesulfonamide

C14H23N3O2S — CID 61017318

IUPAC4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
SMILESCC(CNc1ccc(S(N)(=O)=O)cc1)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(17-9-3-2-4-10-17)11-16-13-5-7-14(8-6-13)20(15,18)19/h5-8,12,16H,2-4,9-11H2,1H3,(H2,15,18,19)
InChIKeyXVKKYCALZHBZPH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.62
Rot. Bonds5

About 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide

4-(2-piperidin-1-ylpropylamino)benzenesulfonamide (PubChem CID 61017318) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
PubChem CID61017318
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
SMILESCC(CNc1ccc(S(N)(=O)=O)cc1)N1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-12(17-9-3-2-4-10-17)11-16-13-5-7-14(8-6-13)20(15,18)19/h5-8,12,16H,2-4,9-11H2,1H3,(H2,15,18,19)
InChIKeyXVKKYCALZHBZPH-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulthiame
CID 5356
4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
Thaumatin
CID 1151816
4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
4-(4-Benzenesulfonylphenyl)piperazine
CID 5113605
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
4-(3-Benzenesulfonamidophenyl)piperazine
CID 11849196
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide?
The IUPAC name of 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide (CID 61017318) is 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide?
The canonical SMILES for 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide is CC(CNc1ccc(S(N)(=O)=O)cc1)N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide?
The InChIKey is XVKKYCALZHBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(17-9-3-2-4-10-17)11-16-13-5-7-14(8-6-13)20(15,18)19/h5-8,12,16H,2-4,9-11H2,1H3,(H2,15,18,19).
What are the key properties of 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide?
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylpropylamino)benzenesulfonamide is sourced from PubChem (CID 61017318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).