N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide

C17H23N3O2S — CID 59230924

IUPACN-[4-(5-aminopentylamino)phenyl]benzenesulfonamide
SMILESNCCCCCNc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H23N3O2S/c18-13-5-2-6-14-19-15-9-11-16(12-10-15)20-23(21,22)17-7-3-1-4-8-17/h1,3-4,7-12,19-20H,2,5-6,13-14,18H2
InChIKeyCFWBPFUBGLDSLV-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.03
Rot. Bonds9

About N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide

N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide (PubChem CID 59230924) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(5-aminopentylamino)phenyl]benzenesulfonamide
PubChem CID59230924
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[4-(5-aminopentylamino)phenyl]benzenesulfonamide
SMILESNCCCCCNc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H23N3O2S/c18-13-5-2-6-14-19-15-9-11-16(12-10-15)20-23(21,22)17-7-3-1-4-8-17/h1,3-4,7-12,19-20H,2,5-6,13-14,18H2
InChIKeyCFWBPFUBGLDSLV-UHFFFAOYSA-N
XLogP3.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476
N'-phenylheptane-1,7-diamine
CID 61149618
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
3-chloro-N-[4-(2-phenylethylamino)phenyl]benzenesulfonamide
CID 112983297
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide (CID 59230924) is N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide is NCCCCCNc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide?
The InChIKey is CFWBPFUBGLDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c18-13-5-2-6-14-19-15-9-11-16(12-10-15)20-23(21,22)17-7-3-1-4-8-17/h1,3-4,7-12,19-20H,2,5-6,13-14,18H2.
What are the key properties of N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide?
N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 3.03, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 59230924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).