[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate

C20H19N3O4S — CID 70681984

IUPAC[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c21-28(25,26)27-19-12-10-18(11-13-19)23-20(24)22-17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyYMBTXUQHYPVEMN-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.50
Rot. Bonds6

About [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate

[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70681984) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70681984
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19N3O4S/c21-28(25,26)27-19-12-10-18(11-13-19)23-20(24)22-17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24)
InChIKeyYMBTXUQHYPVEMN-UHFFFAOYSA-N
XLogP3.50
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ureidophenyl sulfamate ring derivative 3p
CID 53342705
[4-(2-Phenylethylcarbamoylamino)phenyl] sulfamate
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[4-[(2-Phenylphenyl)carbamoylamino]phenyl] sulfamate
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[4-(9H-fluoren-9-ylcarbamoylamino)phenyl] sulfamate
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[4-[(2-Propan-2-ylphenyl)carbamoylamino]phenyl] sulfamate
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[4-(2-Naphthalen-1-ylethylcarbamoylamino)phenyl] sulfamate
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[4-[(4-Methylphenyl)methylcarbamoylamino]phenyl] sulfamate
CID 70681986
[4-[(2,3,4-Trifluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70684100
[4-(1-Adamantylcarbamoylamino)phenyl] sulfamate
CID 70688360
[4-[(4-Iodophenyl)carbamoylamino]phenyl] sulfamate
CID 70692549
[4-[(4-Cyanophenyl)carbamoylamino]phenyl] sulfamate
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[4-(Benzhydrylcarbamoylamino)phenyl] sulfamate
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Frequently Asked Questions

What is the IUPAC name of [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate (CID 70681984) is [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is YMBTXUQHYPVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c21-28(25,26)27-19-12-10-18(11-13-19)23-20(24)22-17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,25,26)(H2,22,23,24).
What are the key properties of [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 397.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-benzylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70681984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).