[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

C15H15ClN2O4S — CID 3762661

IUPAC[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-8-3-5-11(9-14)15(19)17-13-7-4-6-12(16)10-13/h3-10H,1-2H3,(H,17,19)
InChIKeyJBIKECNTZCSBJL-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.78
Rot. Bonds5

About [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 3762661) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID3762661
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-8-3-5-11(9-14)15(19)17-13-7-4-6-12(16)10-13/h3-10H,1-2H3,(H,17,19)
InChIKeyJBIKECNTZCSBJL-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (CID 3762661) is [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is JBIKECNTZCSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-8-3-5-11(9-14)15(19)17-13-7-4-6-12(16)10-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
[3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 354.82 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 3762661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).