1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide

C18H26N2O4S2 — CID 54492944

IUPAC1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc2c(S(=O)(=O)N(C)CCC)cccc12
InChIInChI=1S/C18H26N2O4S2/c1-5-13-19(3)25(21,22)17-11-7-10-16-15(17)9-8-12-18(16)26(23,24)20(4)14-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeyXXBANYIAQFZHDD-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.90
Rot. Bonds8

About 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide

1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide (PubChem CID 54492944) has the molecular formula C18H26N2O4S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
PubChem CID54492944
Molecular FormulaC18H26N2O4S2
Molecular Weight398.55 g/mol
Exact Mass398.13
IUPAC Name1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc2c(S(=O)(=O)N(C)CCC)cccc12
InChIInChI=1S/C18H26N2O4S2/c1-5-13-19(3)25(21,22)17-11-7-10-16-15(17)9-8-12-18(16)26(23,24)20(4)14-6-2/h7-12H,5-6,13-14H2,1-4H3
InChIKeyXXBANYIAQFZHDD-UHFFFAOYSA-N
XLogP2.90
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
N'-hydroxy-3-[methyl(naphthalen-1-ylsulfonyl)amino]propanimidamide
CID 114795590
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
CID 70810373
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide (CID 54492944) is 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide is CCCN(C)S(=O)(=O)c1cccc2c(S(=O)(=O)N(C)CCC)cccc12.
What is the InChIKey of 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide?
The InChIKey is XXBANYIAQFZHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S2/c1-5-13-19(3)25(21,22)17-11-7-10-16-15(17)9-8-12-18(16)26(23,24)20(4)14-6-2/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide?
1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide has a molecular weight of 398.55 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-dimethyl-1-N,5-N-dipropylnaphthalene-1,5-disulfonamide is sourced from PubChem (CID 54492944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).