N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide

C15H16N4O2S — CID 110732235

IUPACN-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C15H16N4O2S/c20-22(21,11-5-8-12-6-2-1-3-7-12)18-14-10-4-9-13-15(14)17-19-16-13/h1-4,6-7,9-10,18H,5,8,11H2,(H,16,17,19)
InChIKeyWPMSYYSGAJTFRT-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.33
Rot. Bonds6

About N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide

N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide (PubChem CID 110732235) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide
PubChem CID110732235
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)Nc1cccc2n[nH]nc12
InChIInChI=1S/C15H16N4O2S/c20-22(21,11-5-8-12-6-2-1-3-7-12)18-14-10-4-9-13-15(14)17-19-16-13/h1-4,6-7,9-10,18H,5,8,11H2,(H,16,17,19)
InChIKeyWPMSYYSGAJTFRT-UHFFFAOYSA-N
XLogP2.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-benzotriazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110732229
N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
CID 110732242
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropane-1-sulfonamide
CID 110724188
N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 110732198
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3-phenylpropane-1-sulfonamide
CID 113051185
2-(2H-benzotriazol-4-ylamino)acetic acid
CID 67894224
N-[3-(1H-imidazol-2-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110726477
3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119
N-[4-(1H-imidazol-5-yl)phenyl]-3-phenylpropane-1-sulfonamide
CID 110668493
N-(5-anilino-2-pyridinyl)-3-phenylpropane-1-sulfonamide
CID 113031280
N-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113017433

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide (CID 110732235) is N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)Nc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide?
The InChIKey is WPMSYYSGAJTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-22(21,11-5-8-12-6-2-1-3-7-12)18-14-10-4-9-13-15(14)17-19-16-13/h1-4,6-7,9-10,18H,5,8,11H2,(H,16,17,19).
What are the key properties of N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide?
N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).