4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide

C21H30N2O2S — CID 1020031

IUPAC4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H30N2O2S/c1-7-23(8-2)18-11-14-20(16(3)15-18)22-26(24,25)19-12-9-17(10-13-19)21(4,5)6/h9-15,22H,7-8H2,1-6H3
InChIKeyAYHYGECEKKBRBY-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.94
Rot. Bonds6

About 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide

4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide (PubChem CID 1020031) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
PubChem CID1020031
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H30N2O2S/c1-7-23(8-2)18-11-14-20(16(3)15-18)22-26(24,25)19-12-9-17(10-13-19)21(4,5)6/h9-15,22H,7-8H2,1-6H3
InChIKeyAYHYGECEKKBRBY-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646
3-[[4-(diethylamino)-2-methylphenyl]sulfamoyl]benzoic acid
CID 25043576
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
4-tert-butyl-N-[5-(diethylamino)-2-pyridinyl]benzenesulfonamide
CID 113029789
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-[4-(diethylamino)-2-methylphenyl]-4H-chromeno[3,4-d][1,2]oxazole-8-sulfonamide
CID 46394783
N-[2-(benzenesulfonamido)-5-(diethylamino)phenyl]acetamide
CID 71429536

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide (CID 1020031) is 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide?
The InChIKey is AYHYGECEKKBRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-7-23(8-2)18-11-14-20(16(3)15-18)22-26(24,25)19-12-9-17(10-13-19)21(4,5)6/h9-15,22H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide?
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 1020031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).