N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide

C16H26N2O2S — CID 106026055

IUPACN-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CCCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-3-5-14-6-8-16(9-7-14)18-21(19,20)13-4-12-17-15-10-11-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyURDKGTJSRFFXCF-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.91
Rot. Bonds10

About N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide

N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide (PubChem CID 106026055) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
PubChem CID106026055
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CCCNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-3-5-14-6-8-16(9-7-14)18-21(19,20)13-4-12-17-15-10-11-15/h6-9,15,17-18H,2-5,10-13H2,1H3
InChIKeyURDKGTJSRFFXCF-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.91
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

2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
3-chloro-N-(4-pentylphenyl)propane-1-sulfonamide
CID 61250073
N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The IUPAC name of N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide (CID 106026055) is N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The canonical SMILES for N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide is CCCCc1ccc(NS(=O)(=O)CCCNC2CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The InChIKey is URDKGTJSRFFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-3-5-14-6-8-16(9-7-14)18-21(19,20)13-4-12-17-15-10-11-15/h6-9,15,17-18H,2-5,10-13H2,1H3.
What are the key properties of N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide is sourced from PubChem (CID 106026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).