phenyl N-[N-(benzenesulfonyl)anilino]carbamate

C19H16N2O4S — CID 122517077

IUPACphenyl N-[N-(benzenesulfonyl)anilino]carbamate
SMILESO=C(NN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)20-21(16-10-4-1-5-11-16)26(23,24)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKeyDMRWZUDPURLMDN-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.59
Rot. Bonds5

About phenyl N-[N-(benzenesulfonyl)anilino]carbamate

phenyl N-[N-(benzenesulfonyl)anilino]carbamate (PubChem CID 122517077) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is phenyl N-[N-(benzenesulfonyl)anilino]carbamate.

Molecular Properties

Compound Namephenyl N-[N-(benzenesulfonyl)anilino]carbamate
PubChem CID122517077
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namephenyl N-[N-(benzenesulfonyl)anilino]carbamate
SMILESO=C(NN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)20-21(16-10-4-1-5-11-16)26(23,24)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChIKeyDMRWZUDPURLMDN-UHFFFAOYSA-N
XLogP3.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[N-(benzenesulfonyl)anilino]-3-phenylurea
CID 146401707
1-anilino-3-(N-(4-methoxyphenyl)sulfonylanilino)urea
CID 3505064
4-[benzamido(phenyl)sulfamoyl]benzoate
CID 7730483
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
(4-methoxyphenyl) N-anilino-N-(benzenesulfonyl)carbamate
CID 127037917
phenyl N-[(2S)-1-(2,2-diphenylhydrazinyl)-1-oxopropan-2-yl]carbamate
CID 126006109
1-(benzenesulfonyl)-1-phenoxyurea
CID 54187275
2-(phenoxycarbonylamino)ethyl methanesulfonate
CID 87999644
phenyl N-benzoylcarbamate
CID 66560330
phenyl N-(methylamino)carbamate
CID 59676988
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820

Frequently Asked Questions

What is the IUPAC name of phenyl N-[N-(benzenesulfonyl)anilino]carbamate?
The IUPAC name of phenyl N-[N-(benzenesulfonyl)anilino]carbamate (CID 122517077) is phenyl N-[N-(benzenesulfonyl)anilino]carbamate.
What is the SMILES notation for phenyl N-[N-(benzenesulfonyl)anilino]carbamate?
The canonical SMILES for phenyl N-[N-(benzenesulfonyl)anilino]carbamate is O=C(NN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[N-(benzenesulfonyl)anilino]carbamate?
The InChIKey is DMRWZUDPURLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-19(25-17-12-6-2-7-13-17)20-21(16-10-4-1-5-11-16)26(23,24)18-14-8-3-9-15-18/h1-15H,(H,20,22).
What are the key properties of phenyl N-[N-(benzenesulfonyl)anilino]carbamate?
phenyl N-[N-(benzenesulfonyl)anilino]carbamate has a molecular weight of 368.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[N-(benzenesulfonyl)anilino]carbamate is sourced from PubChem (CID 122517077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).