N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide

C16H17N3O2S — CID 3110416

IUPACN-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2S/c20-22(21,18-8-3-10-19-11-9-17-13-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,9,11-13,18H,3,8,10H2
InChIKeyDGJAJRKTTNYWDG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.40
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide

N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide (PubChem CID 3110416) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide
PubChem CID3110416
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3O2S/c20-22(21,18-8-3-10-19-11-9-17-13-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,9,11-13,18H,3,8,10H2
InChIKeyDGJAJRKTTNYWDG-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Imidazol-1-yl-propyl)-2,3,5,6-tetramethyl-benzenesulfonamide
CID 2991266
N-[3-(1H-imidazol-1-yl)propyl]-2,4,5-trimethylbenzene-1-sulfonamide
CID 2992689
1-(3,4-Dimethylbenzenesulfonyl)-2-ethyl-1H-imidazole
CID 645505
2-Ethyl-1-(7-methyl-naphthalene-2-sulfonyl)-1H-imidazole
CID 647161
1-[(3,4-dimethylphenyl)sulfonyl]-1H-imidazole
CID 794420
N-[2-(1H-imidazol-5-yl)ethyl]naphthalene-2-sulfonamide
CID 4205028
N-[6-(1H-imidazol-5-yl)hexyl]naphthalene-2-sulfonamide
CID 10021248
N-[10-(1H-imidazol-5-yl)decyl]naphthalene-2-sulfonamide
CID 44297197
N-[3-(1H-imidazol-5-yl)propyl]naphthalene-2-sulfonamide
CID 44297396
N-[4-(1H-imidazol-5-yl)butyl]naphthalene-2-sulfonamide
CID 44297404
N-[5-(1H-imidazol-5-yl)pentyl]naphthalene-2-sulfonamide
CID 44297413
N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]naphthalene-2-sulfonamide
CID 44297414

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide (CID 3110416) is N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide is O=S(=O)(NCCCn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide?
The InChIKey is DGJAJRKTTNYWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-22(21,18-8-3-10-19-11-9-17-13-19)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-7,9,11-13,18H,3,8,10H2.
What are the key properties of N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide?
N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3110416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).