N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide

C17H22N2O4S2 — CID 110417713

IUPACN-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-6-3-4-8-17(14)25(22,23)18-13-5-7-15-9-11-16(12-10-15)19-24(2,20)21/h3-4,6,8-12,18-19H,5,7,13H2,1-2H3
InChIKeyBZIVGEMBUQCVGM-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.28
Rot. Bonds8

About N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide

N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide (PubChem CID 110417713) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
PubChem CID110417713
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O4S2/c1-14-6-3-4-8-17(14)25(22,23)18-13-5-7-15-9-11-16(12-10-15)19-24(2,20)21/h3-4,6,8-12,18-19H,5,7,13H2,1-2H3
InChIKeyBZIVGEMBUQCVGM-UHFFFAOYSA-N
XLogP2.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.28
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

N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
N-[2-(methanesulfonamido)phenyl]-2-methylbenzenesulfonamide
CID 113093452
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide (CID 110417713) is N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide?
The InChIKey is BZIVGEMBUQCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-6-3-4-8-17(14)25(22,23)18-13-5-7-15-9-11-16(12-10-15)19-24(2,20)21/h3-4,6,8-12,18-19H,5,7,13H2,1-2H3.
What are the key properties of N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide?
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110417713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).