N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide

C18H24N2O2S — CID 10520589

IUPACN-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12,19H2,1-3H3
InChIKeyGMWRZJCTZHAMDY-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide

N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide (PubChem CID 10520589) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide
PubChem CID10520589
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(N)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12,19H2,1-3H3
InChIKeyGMWRZJCTZHAMDY-UHFFFAOYSA-N
XLogP3.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide (CID 10520589) is N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(N)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide?
The InChIKey is GMWRZJCTZHAMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-13(2)23(21,22)20-12-14(3)15-4-6-16(7-5-15)17-8-10-18(19)11-9-17/h4-11,13-14,20H,12,19H2,1-3H3.
What are the key properties of N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide?
N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-aminophenyl)phenyl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10520589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).