N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide

C19H26N2O4S2 — CID 17380992

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-15-7-11-17(12-8-15)26(22,23)20-16-9-13-18(14-10-16)27(24,25)21-19(2,3)4/h7-14,20-21H,5-6H2,1-4H3
InChIKeyZKVDLVPNACSEIL-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.52
Rot. Bonds7

About N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide

N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 17380992) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
PubChem CID17380992
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O4S2/c1-5-6-15-7-11-17(12-8-15)26(22,23)20-16-9-13-18(14-10-16)27(24,25)21-19(2,3)4/h7-14,20-21H,5-6H2,1-4H3
InChIKeyZKVDLVPNACSEIL-UHFFFAOYSA-N
XLogP3.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
N-tert-butyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39371133
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 43378598
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide (CID 17380992) is N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is ZKVDLVPNACSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-5-6-15-7-11-17(12-8-15)26(22,23)20-16-9-13-18(14-10-16)27(24,25)21-19(2,3)4/h7-14,20-21H,5-6H2,1-4H3.
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide?
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 17380992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).