4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine

C18H19N3O3S — CID 101434864

IUPAC4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3
InChIKeyJUUCODFMACUQCE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.42
Rot. Bonds3

About 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine

4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine (PubChem CID 101434864) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
PubChem CID101434864
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3
InChIKeyJUUCODFMACUQCE-UHFFFAOYSA-N
XLogP2.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
CID 156504188
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
4-[2-[(1S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]morpholine
CID 92753690
2-methyl-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[1,5-a]quinazoline
CID 8850818
4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-oxadiazecane
CID 13148160
tert-butyl 4-[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]indazol-3-yl]piperazine-1-carboxylate
CID 59259382
5-[1-(4-methylphenyl)sulfonylindol-4-yl]-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carbaldehyde
CID 58234963
(2R)-2-(4-methylphenyl)sulfonyl-2-(3-morpholin-4-ylquinoxalin-2-yl)acetonitrile
CID 2002196
(3R)-4-(4-methylphenyl)sulfonyl-3-phenylmorpholine
CID 102484859
N-(4-methylphenyl)-4-morpholin-4-ylquinazolin-2-amine;hydrochloride
CID 2910267
5-[5-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine;2-morpholin-4-yl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 165081970
(7aR,11aR)-1,7-bis-(4-methylphenyl)sulfonyl-2,3,5,6,7a,8,9,10,11,11a-decahydrobenzo[e][1,4,7]oxadiazonine
CID 101249935

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The IUPAC name of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine (CID 101434864) is 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine is Cc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The InChIKey is JUUCODFMACUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3.
What are the key properties of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine has a molecular weight of 357.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine is sourced from PubChem (CID 101434864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).