[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate

C15H17N3O4S — CID 53342705

IUPAC[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyHGVHSNXRZYOTPD-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.53
Rot. Bonds4

About [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 53342705) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID53342705
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyHGVHSNXRZYOTPD-UHFFFAOYSA-N
XLogP2.53
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate (CID 53342705) is [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate is Cc1cc(C)cc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1.
What is the InChIKey of [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is HGVHSNXRZYOTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 335.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 53342705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).