5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide

C30H27N5O2S — CID 42634812

IUPAC5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCn3c(-c4cccc5cccnc45)nc4ccccc43)cccc12
InChIInChI=1S/C30H27N5O2S/c1-34(2)26-16-6-12-23-22(26)11-7-17-28(23)38(36,37)32-19-20-35-27-15-4-3-14-25(27)33-30(35)24-13-5-9-21-10-8-18-31-29(21)24/h3-18,32H,19-20H2,1-2H3
InChIKeyJAKQNWLBOJMBAH-UHFFFAOYSA-N
MW521.65 g/mol
LogP5.45
Rot. Bonds7

About 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 42634812) has the molecular formula C30H27N5O2S and a molecular weight of 521.65 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID42634812
Molecular FormulaC30H27N5O2S
Molecular Weight521.65 g/mol
Exact Mass521.19
IUPAC Name5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCn3c(-c4cccc5cccnc45)nc4ccccc43)cccc12
InChIInChI=1S/C30H27N5O2S/c1-34(2)26-16-6-12-23-22(26)11-7-17-28(23)38(36,37)32-19-20-35-27-15-4-3-14-25(27)33-30(35)24-13-5-9-21-10-8-18-31-29(21)24/h3-18,32H,19-20H2,1-2H3
InChIKeyJAKQNWLBOJMBAH-UHFFFAOYSA-N
XLogP5.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.65
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]naphthalene-1-sulfonamide
CID 75452056
carbanide;8-(1-propylbenzimidazol-2-yl)quinoline;trichloroplatinum
CID 58251767
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 18331177
dichloroplatinum;8-[1-(3-methylbutyl)benzimidazol-2-yl]quinoline
CID 58251814
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-[3-[2-[3-(4-amino-2-methylbenzo[g]benzimidazol-1-yl)propoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58735342
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide (CID 42634812) is 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCn3c(-c4cccc5cccnc45)nc4ccccc43)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is JAKQNWLBOJMBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2S/c1-34(2)26-16-6-12-23-22(26)11-7-17-28(23)38(36,37)32-19-20-35-27-15-4-3-14-25(27)33-30(35)24-13-5-9-21-10-8-18-31-29(21)24/h3-18,32H,19-20H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 521.65 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-(2-quinolin-8-ylbenzimidazol-1-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 42634812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).