4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide

C18H27BrNO2PS — CID 118474049

IUPAC4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide
SMILESO=S(=O)(NP(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H27BrNO2PS/c19-15-11-13-18(14-12-15)24(21,22)20-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17,20H,1-10H2
InChIKeyQNKBRZFVADTCDZ-UHFFFAOYSA-N
MW432.36 g/mol
LogP5.79
Rot. Bonds5

About 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide

4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide (PubChem CID 118474049) has the molecular formula C18H27BrNO2PS and a molecular weight of 432.36 g/mol. Its IUPAC name is 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide
PubChem CID118474049
Molecular FormulaC18H27BrNO2PS
Molecular Weight432.36 g/mol
Exact Mass431.07
IUPAC Name4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide
SMILESO=S(=O)(NP(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H27BrNO2PS/c19-15-11-13-18(14-12-15)24(21,22)20-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17,20H,1-10H2
InChIKeyQNKBRZFVADTCDZ-UHFFFAOYSA-N
XLogP5.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide (CID 118474049) is 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide is O=S(=O)(NP(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide?
The InChIKey is QNKBRZFVADTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrNO2PS/c19-15-11-13-18(14-12-15)24(21,22)20-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h11-14,16-17,20H,1-10H2.
What are the key properties of 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide?
4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide has a molecular weight of 432.36 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-dicyclohexylphosphanylbenzenesulfonamide is sourced from PubChem (CID 118474049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).