5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide

C17H17N3O2S — CID 664985

IUPAC5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12
InChIInChI=1S/C17H17N3O2S/c1-20(2)15-9-5-8-14-13(15)7-6-10-16(14)23(21,22)19-17-11-3-4-12-18-17/h3-12H,1-2H3,(H,18,19)
InChIKeyQTTGUFALNOXXDZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.10
Rot. Bonds4

About 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide

5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide (PubChem CID 664985) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide
PubChem CID664985
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12
InChIInChI=1S/C17H17N3O2S/c1-20(2)15-9-5-8-14-13(15)7-6-10-16(14)23(21,22)19-17-11-3-4-12-18-17/h3-12H,1-2H3,(H,18,19)
InChIKeyQTTGUFALNOXXDZ-UHFFFAOYSA-N
XLogP3.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methylpyridin-2-yl)naphthalene-2-sulfonamide
CID 755284
1-Guanidino-7-sulphamoylisoquinoline
CID 16658352
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
5-(1,4-Diazepan-1-ylsulfonyl)isoquinolin-1-amine
CID 49870878
Arylsulfonylpiperazine, 19
CID 44237023
N-(5-Bromo-2-pyridinyl)-2-naphthalenesulfonamide
CID 1122744
5-(dimethylamino)-N-pyrazin-2-ylnaphthalene-1-sulfonamide
CID 10568280
4-methyl-N-{2-[(pyridin-2-ylamino)methyl]phenyl}benzenesulfonamide
CID 1147309
N-{3-[2-(2-pyridinyl)ethyl]phenyl}-2-naphthalenesulfonamide
CID 1327896
4-methyl-N-phenyl-N-2-pyridinylbenzenesulfonamide
CID 882825
5-dimethylamino-N-(5-bromo-3-methyl-2-pyrazinyl)-1-naphthalenesulphonamide
CID 10550094
N-(5-bromopyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10645066

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide (CID 664985) is 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide?
The InChIKey is QTTGUFALNOXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20(2)15-9-5-8-14-13(15)7-6-10-16(14)23(21,22)19-17-11-3-4-12-18-17/h3-12H,1-2H3,(H,18,19).
What are the key properties of 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-pyridin-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 664985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).