4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide

C18H22N2O4S2 — CID 134060499

IUPAC4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,19-14-4-7-15-5-2-1-3-6-15)17-10-12-18(13-11-17)26(23,24)20-16-8-9-16/h1-3,5-6,10-13,16,19-20H,4,7-9,14H2
InChIKeyVLBACASKIQYGSG-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.04
Rot. Bonds9

About 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide

4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide (PubChem CID 134060499) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
PubChem CID134060499
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
SMILESO=S(=O)(NCCCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H22N2O4S2/c21-25(22,19-14-4-7-15-5-2-1-3-6-15)17-10-12-18(13-11-17)26(23,24)20-16-8-9-16/h1-3,5-6,10-13,16,19-20H,4,7-9,14H2
InChIKeyVLBACASKIQYGSG-UHFFFAOYSA-N
XLogP2.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
1-N-(3-aminopropyl)-4-N-cyclopropylbenzene-1,4-disulfonamide
CID 119962220
4-N-cyclopropyl-1-N-[3-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 119964978
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
4-iodo-N-(4-phenylbutyl)benzenesulfonamide
CID 5163174
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-(2-aminoethyl)-4-(cyclopropylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120885122
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide (CID 134060499) is 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide is O=S(=O)(NCCCc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide?
The InChIKey is VLBACASKIQYGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c21-25(22,19-14-4-7-15-5-2-1-3-6-15)17-10-12-18(13-11-17)26(23,24)20-16-8-9-16/h1-3,5-6,10-13,16,19-20H,4,7-9,14H2.
What are the key properties of 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide?
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 134060499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).