N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide

C22H23N3O2S — CID 174508396

IUPACN-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide
SMILESCC(C)(CN)n1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C22H23N3O2S/c1-22(2,15-23)25-13-12-17-10-11-18(14-20(17)25)24-28(26,27)21-9-5-7-16-6-3-4-8-19(16)21/h3-14,24H,15,23H2,1-2H3
InChIKeyIIDJJKAYZVYLSY-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.29
Rot. Bonds5

About N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide

N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide (PubChem CID 174508396) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide
PubChem CID174508396
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide
SMILESCC(C)(CN)n1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C22H23N3O2S/c1-22(2,15-23)25-13-12-17-10-11-18(14-20(17)25)24-28(26,27)21-9-5-7-16-6-3-4-8-19(16)21/h3-14,24H,15,23H2,1-2H3
InChIKeyIIDJJKAYZVYLSY-UHFFFAOYSA-N
XLogP4.29
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-amino-2-methylpropan-2-yl)indol-4-yl]naphthalene-1-sulfonamide
CID 174490137
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
CID 11362134
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
CID 11177658
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide (CID 174508396) is N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide is CC(C)(CN)n1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide?
The InChIKey is IIDJJKAYZVYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-22(2,15-23)25-13-12-17-10-11-18(14-20(17)25)24-28(26,27)21-9-5-7-16-6-3-4-8-19(16)21/h3-14,24H,15,23H2,1-2H3.
What are the key properties of N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide?
N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 174508396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).