N-tert-butyl-4-(4-methylphenyl)sulfonylaniline

C17H21NO2S — CID 22358267

IUPACN-tert-butyl-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18-17(2,3)4/h5-12,18H,1-4H3
InChIKeyRNSFTGBERFQIGL-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.04
Rot. Bonds3

About N-tert-butyl-4-(4-methylphenyl)sulfonylaniline

N-tert-butyl-4-(4-methylphenyl)sulfonylaniline (PubChem CID 22358267) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methylphenyl)sulfonylaniline.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methylphenyl)sulfonylaniline
PubChem CID22358267
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-tert-butyl-4-(4-methylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(NC(C)(C)C)cc2)cc1
InChIInChI=1S/C17H21NO2S/c1-13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18-17(2,3)4/h5-12,18H,1-4H3
InChIKeyRNSFTGBERFQIGL-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
N-tert-butyl-4-[4-(trifluoromethoxy)phenyl]sulfonylaniline
CID 22358258
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
1,2,3-tris-(4-methylphenyl)sulfonylbenzene
CID 18699518
1,2,4,5-tetramethyl-3,6-bis-(4-methylphenyl)sulfonylbenzene
CID 10972270

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methylphenyl)sulfonylaniline?
The IUPAC name of N-tert-butyl-4-(4-methylphenyl)sulfonylaniline (CID 22358267) is N-tert-butyl-4-(4-methylphenyl)sulfonylaniline.
What is the SMILES notation for N-tert-butyl-4-(4-methylphenyl)sulfonylaniline?
The canonical SMILES for N-tert-butyl-4-(4-methylphenyl)sulfonylaniline is Cc1ccc(S(=O)(=O)c2ccc(NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-(4-methylphenyl)sulfonylaniline?
The InChIKey is RNSFTGBERFQIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-5-9-15(10-6-13)21(19,20)16-11-7-14(8-12-16)18-17(2,3)4/h5-12,18H,1-4H3.
What are the key properties of N-tert-butyl-4-(4-methylphenyl)sulfonylaniline?
N-tert-butyl-4-(4-methylphenyl)sulfonylaniline has a molecular weight of 303.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methylphenyl)sulfonylaniline is sourced from PubChem (CID 22358267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).