N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide

C17H22N2O2S — CID 112986651

IUPACN-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-22(20,21)19-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3/h5-13,18-19H,4H2,1-3H3
InChIKeyOVKSJEVBINSJQI-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.32
Rot. Bonds6

About N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide

N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide (PubChem CID 112986651) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
PubChem CID112986651
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C17H22N2O2S/c1-4-22(20,21)19-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3/h5-13,18-19H,4H2,1-3H3
InChIKeyOVKSJEVBINSJQI-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
N-[4-[(1S)-1-(3,5-difluoroanilino)ethyl]phenyl]ethanesulfonamide
CID 97306800
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide (CID 112986651) is N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide?
The InChIKey is OVKSJEVBINSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-22(20,21)19-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3/h5-13,18-19H,4H2,1-3H3.
What are the key properties of N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide?
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide is sourced from PubChem (CID 112986651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).