N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide

C23H21N3O2S — CID 102430109

IUPACN-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C3=CCNCC3)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2S/c27-29(28,20-7-5-16-3-1-2-4-18(16)13-20)26-19-6-8-23-21(14-19)22(15-25-23)17-9-11-24-12-10-17/h1-9,13-15,24-26H,10-12H2
InChIKeyOLBOGOMRXGKGQJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.50
Rot. Bonds4

About N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide

N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide (PubChem CID 102430109) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
PubChem CID102430109
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2[nH]cc(C3=CCNCC3)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O2S/c27-29(28,20-7-5-16-3-1-2-4-18(16)13-20)26-19-6-8-23-21(14-19)22(15-25-23)17-9-11-24-12-10-17/h1-9,13-15,24-26H,10-12H2
InChIKeyOLBOGOMRXGKGQJ-UHFFFAOYSA-N
XLogP4.50
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
CID 11486933
5-bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ol
CID 15646678
N-(4-oxo-3,5-dihydropyrrolo[2,3-c]quinolin-8-yl)naphthalene-2-sulfonamide
CID 68935733
N-[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]naphthalene-2-sulfonamide
CID 122164677
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11333554
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;hydrochloride
CID 154728760
methyl 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxylate
CID 21469433
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
4-[[[5-bromo-2-[[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]amino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 10415252
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide (CID 102430109) is N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc2[nH]cc(C3=CCNCC3)c2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide?
The InChIKey is OLBOGOMRXGKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-29(28,20-7-5-16-3-1-2-4-18(16)13-20)26-19-6-8-23-21(14-19)22(15-25-23)17-9-11-24-12-10-17/h1-9,13-15,24-26H,10-12H2.
What are the key properties of N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide?
N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 102430109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).