N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen

C16H24N2O4S2 — CID 177246502

IUPACN-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C16H20N2O4S2.2H2/c1-3-4-13-5-9-16(10-6-13)24(21,22)18-14-7-11-15(12-8-14)23(19,20)17-2;;/h5-12,17-18H,3-4H2,1-2H3;2*1H
InChIKeyLHTSDIXUPZJFIQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.84
Rot. Bonds7

About N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen

N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen (PubChem CID 177246502) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
PubChem CID177246502
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C16H20N2O4S2.2H2/c1-3-4-13-5-9-16(10-6-13)24(21,22)18-14-7-11-15(12-8-14)23(19,20)17-2;;/h5-12,17-18H,3-4H2,1-2H3;2*1H
InChIKeyLHTSDIXUPZJFIQ-UHFFFAOYSA-N
XLogP2.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.84
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-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-iodo-4-propylbenzenesulfonamide
CID 143564822
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 43378598
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-propylbenzenesulfonamide
CID 6411940
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-propylbenzenesulfonamide
CID 19684397
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen (CID 177246502) is N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen is CCCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cc2)cc1.[H][H].[H][H].
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen?
The InChIKey is LHTSDIXUPZJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2.2H2/c1-3-4-13-5-9-16(10-6-13)24(21,22)18-14-7-11-15(12-8-14)23(19,20)17-2;;/h5-12,17-18H,3-4H2,1-2H3;2*1H.
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen?
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen has a molecular weight of 372.51 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 177246502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).