N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide

C19H26N2O2S — CID 112980309

IUPACN-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-2-3-15-20-18-11-13-19(14-12-18)21-24(22,23)16-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20-21H,2-3,7,10,15-16H2,1H3
InChIKeyVOPYNAWUJXLPHY-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.27
Rot. Bonds10

About N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide

N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide (PubChem CID 112980309) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
PubChem CID112980309
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-2-3-15-20-18-11-13-19(14-12-18)21-24(22,23)16-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20-21H,2-3,7,10,15-16H2,1H3
InChIKeyVOPYNAWUJXLPHY-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106026055
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide (CID 112980309) is N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide is CCCCNc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is VOPYNAWUJXLPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-3-15-20-18-11-13-19(14-12-18)21-24(22,23)16-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-14,20-21H,2-3,7,10,15-16H2,1H3.
What are the key properties of N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide?
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 112980309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).