N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide

C22H23N3O2S — CID 11176859

IUPACN-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-10-11-19(16-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3
InChIKeyMMVUKQDPMLJEFQ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.16
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide

N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide (PubChem CID 11176859) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
PubChem CID11176859
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-10-11-19(16-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3
InChIKeyMMVUKQDPMLJEFQ-UHFFFAOYSA-N
XLogP4.16
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
CID 11362134
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
CID 11177658
N-[1-[2-(dimethylamino)ethyl]indol-4-yl]naphthalene-1-sulfonamide
CID 11269402
N-[1-(1-amino-2-methylpropan-2-yl)indol-6-yl]naphthalene-1-sulfonamide
CID 174508396
5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 44533239
4-bromo-N-[1-[2-(dimethylamino)ethyl]indol-5-yl]benzenesulfonamide
CID 11676162
2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-2-methylpropanamide
CID 119891239
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
CID 11166043
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
CID 11270131
N-[4-[[6-[1-[2-(dimethylamino)ethyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]-2-fluorobenzenesulfonamide
CID 69134890
4-(aminomethyl)-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]benzamide
CID 119891273

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide (CID 11176859) is N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide is CN(C)CCn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide?
The InChIKey is MMVUKQDPMLJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-10-11-19(16-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide?
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11176859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).