N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide

C29H26N4O2S — CID 73314053

IUPACN-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(C=Cc3ccccc3)n[nH]c2cc1N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H26N4O2S/c34-36(35,24-14-13-22-10-4-5-11-23(22)18-24)32-28-19-25-26(15-12-21-8-2-1-3-9-21)30-31-27(25)20-29(28)33-16-6-7-17-33/h1-5,8-15,18-20,32H,6-7,16-17H2,(H,30,31)
InChIKeySWWLFIWVHXGNIF-UHFFFAOYSA-N
MW494.62 g/mol
LogP6.29
Rot. Bonds6

About N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide

N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide (PubChem CID 73314053) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
PubChem CID73314053
Molecular FormulaC29H26N4O2S
Molecular Weight494.62 g/mol
Exact Mass494.18
IUPAC NameN-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(C=Cc3ccccc3)n[nH]c2cc1N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C29H26N4O2S/c34-36(35,24-14-13-22-10-4-5-11-23(22)18-24)32-28-19-25-26(15-12-21-8-2-1-3-9-21)30-31-27(25)20-29(28)33-16-6-7-17-33/h1-5,8-15,18-20,32H,6-7,16-17H2,(H,30,31)
InChIKeySWWLFIWVHXGNIF-UHFFFAOYSA-N
XLogP6.29
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(E)-2-phenylethenyl]-6-pyrrolidin-1-yl-1H-indazol-5-yl]-4-propylbenzenesulfonamide
CID 16730668
6-(benzenesulfonyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 141056052
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]naphthalene-2-sulfonamide
CID 4826340
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]naphthalene-2-sulfonamide;hydrochloride
CID 10231707
N-[2-(1H-indol-2-yl)phenyl]naphthalene-2-sulfonamide
CID 3532370
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]naphthalene-2-sulfonamide
CID 170554185

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide (CID 73314053) is N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cc2c(C=Cc3ccccc3)n[nH]c2cc1N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide?
The InChIKey is SWWLFIWVHXGNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2S/c34-36(35,24-14-13-22-10-4-5-11-23(22)18-24)32-28-19-25-26(15-12-21-8-2-1-3-9-21)30-31-27(25)20-29(28)33-16-6-7-17-33/h1-5,8-15,18-20,32H,6-7,16-17H2,(H,30,31).
What are the key properties of N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide?
N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide has a molecular weight of 494.62 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethenyl)-6-pyrrolidin-1-yl-1H-indazol-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 73314053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).