4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen

C17H23NO2S — CID 143550449

IUPAC4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)c(C)c2)cc1.[H][H]
InChIInChI=1S/C17H21NO2S.H2/c1-12(2)17-10-7-15(11-14(17)4)18-21(19,20)16-8-5-13(3)6-9-16;/h5-12,18H,1-4H3;1H
InChIKeyZDSJXZNHGYBUGV-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.47
Rot. Bonds4

About 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen

4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen (PubChem CID 143550449) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
PubChem CID143550449
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)c(C)c2)cc1.[H][H]
InChIInChI=1S/C17H21NO2S.H2/c1-12(2)17-10-7-15(11-14(17)4)18-21(19,20)16-8-5-13(3)6-9-16;/h5-12,18H,1-4H3;1H
InChIKeyZDSJXZNHGYBUGV-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 132500915
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
N-(1,3-dimethylindol-6-yl)-4-methylbenzenesulfonamide
CID 169371827
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen (CID 143550449) is 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen is Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)c(C)c2)cc1.[H][H].
What is the InChIKey of 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen?
The InChIKey is ZDSJXZNHGYBUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S.H2/c1-12(2)17-10-7-15(11-14(17)4)18-21(19,20)16-8-5-13(3)6-9-16;/h5-12,18H,1-4H3;1H.
What are the key properties of 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen?
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen has a molecular weight of 305.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 143550449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).