(4-dodecoxyphenyl) sulfamate

C18H31NO4S — CID 22892934

IUPAC(4-dodecoxyphenyl) sulfamate
SMILESCCCCCCCCCCCCOc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C18H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23-24(19,20)21/h12-15H,2-11,16H2,1H3,(H2,19,20,21)
InChIKeyWRTXIJORYSFAPL-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.57
Rot. Bonds14

About (4-dodecoxyphenyl) sulfamate

(4-dodecoxyphenyl) sulfamate (PubChem CID 22892934) has the molecular formula C18H31NO4S and a molecular weight of 357.52 g/mol. Its IUPAC name is (4-dodecoxyphenyl) sulfamate.

Molecular Properties

Compound Name(4-dodecoxyphenyl) sulfamate
PubChem CID22892934
Molecular FormulaC18H31NO4S
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC Name(4-dodecoxyphenyl) sulfamate
SMILESCCCCCCCCCCCCOc1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C18H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23-24(19,20)21/h12-15H,2-11,16H2,1H3,(H2,19,20,21)
InChIKeyWRTXIJORYSFAPL-UHFFFAOYSA-N
XLogP4.57
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-dodecoxyphenyl) sulfamate 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

(4-octoxyphenyl) methanesulfonate
CID 174582509
(4-hexadecylphenyl) sulfamate
CID 10596981
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
(4-hexoxyphenyl) N,N-dimethylsulfamate
CID 22892949
(4-nonoxyphenyl) N,N-dimethylsulfamate
CID 22892920
1,4-dipentoxybenzene
CID 18314717
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
4-(4-heptoxyphenoxy)butane-1-sulfonic acid
CID 58983762
sodium 4-undecoxybenzenesulfonate
CID 139816425
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of (4-dodecoxyphenyl) sulfamate?
The IUPAC name of (4-dodecoxyphenyl) sulfamate (CID 22892934) is (4-dodecoxyphenyl) sulfamate.
What is the SMILES notation for (4-dodecoxyphenyl) sulfamate?
The canonical SMILES for (4-dodecoxyphenyl) sulfamate is CCCCCCCCCCCCOc1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of (4-dodecoxyphenyl) sulfamate?
The InChIKey is WRTXIJORYSFAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23-24(19,20)21/h12-15H,2-11,16H2,1H3,(H2,19,20,21).
What are the key properties of (4-dodecoxyphenyl) sulfamate?
(4-dodecoxyphenyl) sulfamate has a molecular weight of 357.52 g/mol, XLogP of 4.57, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dodecoxyphenyl) sulfamate is sourced from PubChem (CID 22892934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).