N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C24H27N5O2S — CID 122354823

IUPACN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H27N5O2S/c30-32(31,23-12-7-18-5-1-2-6-19(18)15-23)28-21-10-8-20(9-11-21)26-24-16-22(17-25-27-24)29-13-3-4-14-29/h7-12,15-17,28H,1-6,13-14H2,(H,26,27)
InChIKeyFCOWXVULQNIJED-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 122354823) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID122354823
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H27N5O2S/c30-32(31,23-12-7-18-5-1-2-6-19(18)15-23)28-21-10-8-20(9-11-21)26-24-16-22(17-25-27-24)29-13-3-4-14-29/h7-12,15-17,28H,1-6,13-14H2,(H,26,27)
InChIKeyFCOWXVULQNIJED-UHFFFAOYSA-N
XLogP4.50
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354613
4-cyano-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354871
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-4-phenylbenzenesulfonamide
CID 122355000
4-methoxy-2,5-dimethyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122354618
4-methoxy-3-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355002
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944208
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
5-chloro-2-methoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzenesulfonamide
CID 122355237

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 122354823) is N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is FCOWXVULQNIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c30-32(31,23-12-7-18-5-1-2-6-19(18)15-23)28-21-10-8-20(9-11-21)26-24-16-22(17-25-27-24)29-13-3-4-14-29/h7-12,15-17,28H,1-6,13-14H2,(H,26,27).
What are the key properties of N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 122354823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).