N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide

C17H22N2O2S2 — CID 67598790

IUPACN-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
SMILESCC(CCCNS(=O)(=O)c1ccccc1)Sc1ccc(N)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14(22-16-11-9-15(18)10-12-16)6-5-13-19-23(20,21)17-7-3-2-4-8-17/h2-4,7-12,14,19H,5-6,13,18H2,1H3
InChIKeyUBZQUXIPKGRFLW-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.51
Rot. Bonds8

About N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide

N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide (PubChem CID 67598790) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
PubChem CID67598790
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
SMILESCC(CCCNS(=O)(=O)c1ccccc1)Sc1ccc(N)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14(22-16-11-9-15(18)10-12-16)6-5-13-19-23(20,21)17-7-3-2-4-8-17/h2-4,7-12,14,19H,5-6,13,18H2,1H3
InChIKeyUBZQUXIPKGRFLW-UHFFFAOYSA-N
XLogP3.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)benzenesulfonamide
CID 106125730
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
4-[(4-methylphenyl)sulfonylamino]-2-phenylsulfanylbutanoic acid
CID 67586105
N-[4-(phenylsulfanylamino)butyl]benzenesulfonamide
CID 163657424
N-tridecylbenzenesulfonamide
CID 3514704
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
3-[(2R)-5-(benzenesulfonamido)pentan-2-yl]-6-propan-2-ylazulene-1-carboxylic acid
CID 15020267
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide (CID 67598790) is N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide is CC(CCCNS(=O)(=O)c1ccccc1)Sc1ccc(N)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide?
The InChIKey is UBZQUXIPKGRFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-14(22-16-11-9-15(18)10-12-16)6-5-13-19-23(20,21)17-7-3-2-4-8-17/h2-4,7-12,14,19H,5-6,13,18H2,1H3.
What are the key properties of N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide?
N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide is sourced from PubChem (CID 67598790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).