[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate

C13H11Cl2N3O4S — CID 70684102

IUPAC[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N3O4S/c14-11-6-3-9(7-12(11)15)18-13(19)17-8-1-4-10(5-2-8)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyHRNVEWJUAQCSBZ-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.22
Rot. Bonds4

About [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate

[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70684102) has the molecular formula C13H11Cl2N3O4S and a molecular weight of 376.22 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70684102
Molecular FormulaC13H11Cl2N3O4S
Molecular Weight376.22 g/mol
Exact Mass374.98
IUPAC Name[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H11Cl2N3O4S/c14-11-6-3-9(7-12(11)15)18-13(19)17-8-1-4-10(5-2-8)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyHRNVEWJUAQCSBZ-UHFFFAOYSA-N
XLogP3.22
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate (CID 70684102) is [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is HRNVEWJUAQCSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O4S/c14-11-6-3-9(7-12(11)15)18-13(19)17-8-1-4-10(5-2-8)22-23(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate?
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 376.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70684102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).