N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide

C18H24N2O2S — CID 112986729

IUPACN-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-5-23(21,22)20-17-12-10-16(11-13-17)19-15-8-6-14(7-9-15)18(2,3)4/h6-13,19-20H,5H2,1-4H3
InChIKeySVNCRFMONWWKKO-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.49
Rot. Bonds5

About N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide

N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide (PubChem CID 112986729) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
PubChem CID112986729
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-5-23(21,22)20-17-12-10-16(11-13-17)19-15-8-6-14(7-9-15)18(2,3)4/h6-13,19-20H,5H2,1-4H3
InChIKeySVNCRFMONWWKKO-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
CID 174697656
CID 174697656
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
CID 79830757
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide (CID 112986729) is N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide?
The InChIKey is SVNCRFMONWWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-23(21,22)20-17-12-10-16(11-13-17)19-15-8-6-14(7-9-15)18(2,3)4/h6-13,19-20H,5H2,1-4H3.
What are the key properties of N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide?
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide is sourced from PubChem (CID 112986729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).