N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide

C28H30N4O2S — CID 16730668

IUPACN-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2N2CCCC2)cc1
InChIInChI=1S/C28H30N4O2S/c1-2-8-21-11-14-23(15-12-21)35(33,34)31-27-19-24-25(16-13-22-9-4-3-5-10-22)29-30-26(24)20-28(27)32-17-6-7-18-32/h3-5,9-16,19-20,31H,2,6-8,17-18H2,1H3,(H,29,30)/b16-13+
InChIKeyHCPOOOFAMOIRLY-DTQAZKPQSA-N
MW486.64 g/mol
LogP6.09
Rot. Bonds8

About N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide

N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide (PubChem CID 16730668) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide
PubChem CID16730668
Molecular FormulaC28H30N4O2S
Molecular Weight486.64 g/mol
Exact Mass486.21
IUPAC NameN-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2N2CCCC2)cc1
InChIInChI=1S/C28H30N4O2S/c1-2-8-21-11-14-23(15-12-21)35(33,34)31-27-19-24-25(16-13-22-9-4-3-5-10-22)29-30-26(24)20-28(27)32-17-6-7-18-32/h3-5,9-16,19-20,31H,2,6-8,17-18H2,1H3,(H,29,30)/b16-13+
InChIKeyHCPOOOFAMOIRLY-DTQAZKPQSA-N
XLogP6.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
CID 73314053
N-[5-(azepane-1-carbonyl)-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146059195
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
3-[(E)-2-(3-ethylphenyl)ethenyl]-N,6-dimethyl-1H-indazol-5-amine
CID 143463805
N-[5-[(3S)-3-methylpiperidine-1-carbonyl]-2-piperazin-1-ylphenyl]-4-propylbenzenesulfonamide
CID 92872204
5-(4-phenylpiperazin-1-yl)-2-[(4-propylphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057862
3-[(4-ethylphenyl)sulfonylamino]-4-(4-propylpiperazin-1-yl)benzoic acid
CID 46291772
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
CID 47062910

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide (CID 16730668) is N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc3c(/C=C/c4ccccc4)n[nH]c3cc2N2CCCC2)cc1.
What is the InChIKey of N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide?
The InChIKey is HCPOOOFAMOIRLY-DTQAZKPQSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-2-8-21-11-14-23(15-12-21)35(33,34)31-27-19-24-25(16-13-22-9-4-3-5-10-22)29-30-26(24)20-28(27)32-17-6-7-18-32/h3-5,9-16,19-20,31H,2,6-8,17-18H2,1H3,(H,29,30)/b16-13+.
What are the key properties of N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide?
N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide has a molecular weight of 486.64 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 16730668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).