4-amino-N-octadecylbenzenesulfonamide;hydrochloride

C24H45ClN2O2S — CID 45050161

IUPAC4-amino-N-octadecylbenzenesulfonamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C24H44N2O2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-29(27,28)24-20-18-23(25)19-21-24;/h18-21,26H,2-17,22,25H2,1H3;1H
InChIKeyZRQYLDQOMLPJRB-UHFFFAOYSA-N
MW461.16 g/mol
LogP7.23
Rot. Bonds19

About 4-amino-N-octadecylbenzenesulfonamide;hydrochloride

4-amino-N-octadecylbenzenesulfonamide;hydrochloride (PubChem CID 45050161) has the molecular formula C24H45ClN2O2S and a molecular weight of 461.16 g/mol. Its IUPAC name is 4-amino-N-octadecylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-octadecylbenzenesulfonamide;hydrochloride
PubChem CID45050161
Molecular FormulaC24H45ClN2O2S
Molecular Weight461.16 g/mol
Exact Mass460.29
IUPAC Name4-amino-N-octadecylbenzenesulfonamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C24H44N2O2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-29(27,28)24-20-18-23(25)19-21-24;/h18-21,26H,2-17,22,25H2,1H3;1H
InChIKeyZRQYLDQOMLPJRB-UHFFFAOYSA-N
XLogP7.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.16
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
CID 154196449
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635
N-tridecylbenzenesulfonamide
CID 3514704
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-octadecylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-amino-N-octadecylbenzenesulfonamide;hydrochloride (CID 45050161) is 4-amino-N-octadecylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-amino-N-octadecylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-amino-N-octadecylbenzenesulfonamide;hydrochloride is CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-octadecylbenzenesulfonamide;hydrochloride?
The InChIKey is ZRQYLDQOMLPJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-26-29(27,28)24-20-18-23(25)19-21-24;/h18-21,26H,2-17,22,25H2,1H3;1H.
What are the key properties of 4-amino-N-octadecylbenzenesulfonamide;hydrochloride?
4-amino-N-octadecylbenzenesulfonamide;hydrochloride has a molecular weight of 461.16 g/mol, XLogP of 7.23, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-octadecylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 45050161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).