(2-amino-4-chlorophenyl) N,N-dimethylsulfamate

C8H11ClN2O3S — CID 23329889

IUPAC(2-amino-4-chlorophenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(Cl)cc1N
InChIInChI=1S/C8H11ClN2O3S/c1-11(2)15(12,13)14-8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
InChIKeyKIJNMPTWEBFGJT-UHFFFAOYSA-N
MW250.71 g/mol
LogP1.11
Rot. Bonds3

About (2-amino-4-chlorophenyl) N,N-dimethylsulfamate

(2-amino-4-chlorophenyl) N,N-dimethylsulfamate (PubChem CID 23329889) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl) N,N-dimethylsulfamate.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl) N,N-dimethylsulfamate
PubChem CID23329889
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC Name(2-amino-4-chlorophenyl) N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(Cl)cc1N
InChIInChI=1S/C8H11ClN2O3S/c1-11(2)15(12,13)14-8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3
InChIKeyKIJNMPTWEBFGJT-UHFFFAOYSA-N
XLogP1.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
[2-chloro-4-(chloromethyl)phenyl] N,N-dimethylsulfamate
CID 21044470
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-chloro-2-(trideuteriomethoxy)aniline
CID 87073671
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
sodium 2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulfonate
CID 45358016
1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
CID 28787801
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
[5-(chloromethyl)-2-methoxyphenyl] N,N-dimethylsulfamate
CID 21044514
(2-amino-4-chlorophenyl) N-tert-butyl-N-ethylcarbamate
CID 174604638
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
CID 83064435

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl) N,N-dimethylsulfamate?
The IUPAC name of (2-amino-4-chlorophenyl) N,N-dimethylsulfamate (CID 23329889) is (2-amino-4-chlorophenyl) N,N-dimethylsulfamate.
What is the SMILES notation for (2-amino-4-chlorophenyl) N,N-dimethylsulfamate?
The canonical SMILES for (2-amino-4-chlorophenyl) N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccc(Cl)cc1N.
What is the InChIKey of (2-amino-4-chlorophenyl) N,N-dimethylsulfamate?
The InChIKey is KIJNMPTWEBFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c1-11(2)15(12,13)14-8-4-3-6(9)5-7(8)10/h3-5H,10H2,1-2H3.
What are the key properties of (2-amino-4-chlorophenyl) N,N-dimethylsulfamate?
(2-amino-4-chlorophenyl) N,N-dimethylsulfamate has a molecular weight of 250.71 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl) N,N-dimethylsulfamate is sourced from PubChem (CID 23329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).