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

C19H17N3O4S — CID 70696640

IUPAC[4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)26-18-12-10-17(11-13-18)22-19(23)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyYDGDTYXPQJTSNL-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.58
Rot. Bonds5

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

[4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate (PubChem CID 70696640) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate
PubChem CID70696640
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name[4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)26-18-12-10-17(11-13-18)22-19(23)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyYDGDTYXPQJTSNL-UHFFFAOYSA-N
XLogP3.58
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ureidophenyl sulfamate ring derivative 3p
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[4-(2-Phenylethylcarbamoylamino)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-(1-Adamantylcarbamoylamino)phenyl] sulfamate
CID 70688360
[4-[(4-Iodophenyl)carbamoylamino]phenyl] sulfamate
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[4-[(4-Cyanophenyl)carbamoylamino]phenyl] sulfamate
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[4-[(4-Benzylphenyl)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-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The IUPAC name of [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate (CID 70696640) is [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate.
What is the SMILES notation for [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The canonical SMILES for [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate is NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate?
The InChIKey is YDGDTYXPQJTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c20-27(24,25)26-18-12-10-17(11-13-18)22-19(23)21-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H2,20,24,25)(H2,21,22,23).
What are the key properties of [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate?
[4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate has a molecular weight of 383.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylphenyl)carbamoylamino]phenyl] sulfamate is sourced from PubChem (CID 70696640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).