5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide

C35H58N2O5S — CID 20535003

IUPAC5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCCCCCCCCCCCCCCCCc1cc(O)c(NS(=O)(=O)c2cc(N)ccc2OCCOC)cc1C(C)(C)C
InChIInChI=1S/C35H58N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-25-32(38)31(27-30(28)35(2,3)4)37-43(39,40)34-26-29(36)21-22-33(34)42-24-23-41-5/h21-22,25-27,37-38H,6-20,23-24,36H2,1-5H3
InChIKeyVJXHCSVNLFBDNE-UHFFFAOYSA-N
MW618.93 g/mol
LogP9.12
Rot. Bonds22

About 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide

5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 20535003) has the molecular formula C35H58N2O5S and a molecular weight of 618.93 g/mol. Its IUPAC name is 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide
PubChem CID20535003
Molecular FormulaC35H58N2O5S
Molecular Weight618.93 g/mol
Exact Mass618.41
IUPAC Name5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCCCCCCCCCCCCCCCCc1cc(O)c(NS(=O)(=O)c2cc(N)ccc2OCCOC)cc1C(C)(C)C
InChIInChI=1S/C35H58N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-25-32(38)31(27-30(28)35(2,3)4)37-43(39,40)34-26-29(36)21-22-33(34)42-24-23-41-5/h21-22,25-27,37-38H,6-20,23-24,36H2,1-5H3
InChIKeyVJXHCSVNLFBDNE-UHFFFAOYSA-N
XLogP9.12
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.93
LogP ≤ 59.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)benzenesulfonamide
CID 19747071
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
2-[(2-butoxy-5-tert-butylphenyl)sulfonylamino]benzoic acid
CID 16645134
methyl 5-amino-2-heptoxybenzoate
CID 61306699
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
CID 170977309
4-tert-butyl-3-dodecylbenzenesulfonic acid
CID 168865049
5-amino-2-nonylphenol
CID 152595596
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
2-(2,5-ditert-butyl-4-octylphenyl)phenol
CID 159042463
5-amino-N-[5-[(5-amino-2-butoxybenzoyl)amino]-2,4-dioctoxyphenyl]-2-butoxybenzamide
CID 102030458

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide (CID 20535003) is 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide is CCCCCCCCCCCCCCCCc1cc(O)c(NS(=O)(=O)c2cc(N)ccc2OCCOC)cc1C(C)(C)C.
What is the InChIKey of 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is VJXHCSVNLFBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-25-32(38)31(27-30(28)35(2,3)4)37-43(39,40)34-26-29(36)21-22-33(34)42-24-23-41-5/h21-22,25-27,37-38H,6-20,23-24,36H2,1-5H3.
What are the key properties of 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide?
5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 618.93 g/mol, XLogP of 9.12, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 20535003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).