5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide

C25H34N4O4S2 — CID 11555407

IUPAC5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H34N4O4S2/c1-20-12-14-21(15-13-20)34(30,31)27-18-6-16-26-17-7-19-28-35(32,33)25-11-5-8-22-23(25)9-4-10-24(22)29(2)3/h4-5,8-15,26-28H,6-7,16-19H2,1-3H3
InChIKeyJPXAGVILTBVLEQ-UHFFFAOYSA-N
MW518.71 g/mol
LogP2.84
Rot. Bonds13

About 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide (PubChem CID 11555407) has the molecular formula C25H34N4O4S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
PubChem CID11555407
Molecular FormulaC25H34N4O4S2
Molecular Weight518.71 g/mol
Exact Mass518.20
IUPAC Name5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCNCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1
InChIInChI=1S/C25H34N4O4S2/c1-20-12-14-21(15-13-20)34(30,31)27-18-6-16-26-17-7-19-28-35(32,33)25-11-5-8-22-23(25)9-4-10-24(22)29(2)3/h4-5,8-15,26-28H,6-7,16-19H2,1-3H3
InChIKeyJPXAGVILTBVLEQ-UHFFFAOYSA-N
XLogP2.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.71
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
5-(dimethylamino)-N-[6-[[4-[(4-methylphenyl)methylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]hexyl]naphthalene-1-sulfonamide
CID 25043472
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
N-[3-[4-[3-(diaminomethylideneamino)propylamino]butylamino]propyl]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanamide
CID 70658039

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide (CID 11555407) is 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide is Cc1ccc(S(=O)(=O)NCCCNCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1.
What is the InChIKey of 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide?
The InChIKey is JPXAGVILTBVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S2/c1-20-12-14-21(15-13-20)34(30,31)27-18-6-16-26-17-7-19-28-35(32,33)25-11-5-8-22-23(25)9-4-10-24(22)29(2)3/h4-5,8-15,26-28H,6-7,16-19H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide has a molecular weight of 518.71 g/mol, XLogP of 2.84, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11555407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).