4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide

C20H27N3O4S2 — CID 55565428

IUPAC4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O4S2/c1-23(2)18(14-16-6-4-3-5-7-16)15-21-28(24,25)19-10-12-20(13-11-19)29(26,27)22-17-8-9-17/h3-7,10-13,17-18,21-22H,8-9,14-15H2,1-2H3
InChIKeyZCIDWZZBWQJBBJ-UHFFFAOYSA-N
MW437.59 g/mol
LogP1.58
Rot. Bonds10

About 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide

4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide (PubChem CID 55565428) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
PubChem CID55565428
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1
InChIInChI=1S/C20H27N3O4S2/c1-23(2)18(14-16-6-4-3-5-7-16)15-21-28(24,25)19-10-12-20(13-11-19)29(26,27)22-17-8-9-17/h3-7,10-13,17-18,21-22H,8-9,14-15H2,1-2H3
InChIKeyZCIDWZZBWQJBBJ-UHFFFAOYSA-N
XLogP1.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
CID 55353812
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
CID 51169617
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 46403128
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1-methylimidazole-4-sulfonamide
CID 134035705

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide (CID 55565428) is 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)Cc1ccccc1.
What is the InChIKey of 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide?
The InChIKey is ZCIDWZZBWQJBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-23(2)18(14-16-6-4-3-5-7-16)15-21-28(24,25)19-10-12-20(13-11-19)29(26,27)22-17-8-9-17/h3-7,10-13,17-18,21-22H,8-9,14-15H2,1-2H3.
What are the key properties of 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide?
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide has a molecular weight of 437.59 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 55565428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).