5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide

C15H15IN2O2S — CID 170856983

IUPAC5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCC#CI)cccc12
InChIInChI=1S/C15H15IN2O2S/c1-18(2)14-8-3-7-13-12(14)6-4-9-15(13)21(19,20)17-11-5-10-16/h3-4,6-9,17H,11H2,1-2H3
InChIKeyDLCRDTZDCZIFIO-UHFFFAOYSA-N
MW414.27 g/mol
LogP2.58
Rot. Bonds4

About 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide (PubChem CID 170856983) has the molecular formula C15H15IN2O2S and a molecular weight of 414.27 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
PubChem CID170856983
Molecular FormulaC15H15IN2O2S
Molecular Weight414.27 g/mol
Exact Mass413.99
IUPAC Name5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCC#CI)cccc12
InChIInChI=1S/C15H15IN2O2S/c1-18(2)14-8-3-7-13-12(14)6-4-9-15(13)21(19,20)17-11-5-10-16/h3-4,6-9,17H,11H2,1-2H3
InChIKeyDLCRDTZDCZIFIO-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
CID 10641161
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
methyl (2S)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2-methylpropanoate
CID 100613997
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl prop-2-ynoate
CID 170856982

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide (CID 170856983) is 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCC#CI)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide?
The InChIKey is DLCRDTZDCZIFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2S/c1-18(2)14-8-3-7-13-12(14)6-4-9-15(13)21(19,20)17-11-5-10-16/h3-4,6-9,17H,11H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide has a molecular weight of 414.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 170856983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).