N-(4-phenylphenyl)sulfamate

C12H10NO3S- — CID 101234676

IUPACN-(4-phenylphenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11NO3S/c14-17(15,16)13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)/p-1
InChIKeySQKXDSADDBSWII-UHFFFAOYSA-M
MW248.28 g/mol
LogP2.23
Rot. Bonds3

About N-(4-phenylphenyl)sulfamate

N-(4-phenylphenyl)sulfamate (PubChem CID 101234676) has the molecular formula C12H10NO3S- and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-phenylphenyl)sulfamate.

Molecular Properties

Compound NameN-(4-phenylphenyl)sulfamate
PubChem CID101234676
Molecular FormulaC12H10NO3S-
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC NameN-(4-phenylphenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11NO3S/c14-17(15,16)13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)/p-1
InChIKeySQKXDSADDBSWII-UHFFFAOYSA-M
XLogP2.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

disodium;N-[4-[4-(sulfonatoamino)phenyl]phenyl]sulfamate
CID 134117524
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
CID 116814969
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019636
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4844260
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
CID 50987199
CID 50987199
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)sulfamate?
The IUPAC name of N-(4-phenylphenyl)sulfamate (CID 101234676) is N-(4-phenylphenyl)sulfamate.
What is the SMILES notation for N-(4-phenylphenyl)sulfamate?
The canonical SMILES for N-(4-phenylphenyl)sulfamate is O=S(=O)([O-])Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)sulfamate?
The InChIKey is SQKXDSADDBSWII-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO3S/c14-17(15,16)13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H,14,15,16)/p-1.
What are the key properties of N-(4-phenylphenyl)sulfamate?
N-(4-phenylphenyl)sulfamate has a molecular weight of 248.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)sulfamate is sourced from PubChem (CID 101234676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).