naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid

C23H17NO4S — CID 70479488

IUPACnaphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid
SMILESO=C(O)N(c1cccc2ccccc12)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17NO4S/c25-23(26)24(21-15-8-12-17-11-4-5-13-19(17)21)29(27,28)22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H,(H,25,26)
InChIKeyMJXNGYAQTBNGDB-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.38
Rot. Bonds4

About naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid

naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid (PubChem CID 70479488) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid
PubChem CID70479488
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Namenaphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid
SMILESO=C(O)N(c1cccc2ccccc12)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17NO4S/c25-23(26)24(21-15-8-12-17-11-4-5-13-19(17)21)29(27,28)22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H,(H,25,26)
InChIKeyMJXNGYAQTBNGDB-UHFFFAOYSA-N
XLogP5.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-1-sulfamoylurea
CID 174809861
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
chloro(naphthalen-1-yl)carbamic acid;hydrochloride
CID 88734221
N-naphthalen-1-yl-8-phenyl-N-(2-phenylphenyl)naphthalen-1-amine
CID 156570934
sodium;naphthalene-1-sulfonate;1-phenyl-2-prop-2-enylbenzene
CID 174496781
N-tert-butyl-2-[methyl-(2-phenylphenyl)sulfonylamino]acetamide
CID 86922586
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
calcium;sodium;carboxy naphthalene-1-sulfonate;hydride
CID 175313978
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid?
The IUPAC name of naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid (CID 70479488) is naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid.
What is the SMILES notation for naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid?
The canonical SMILES for naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid is O=C(O)N(c1cccc2ccccc12)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid?
The InChIKey is MJXNGYAQTBNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S/c25-23(26)24(21-15-8-12-17-11-4-5-13-19(17)21)29(27,28)22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H,(H,25,26).
What are the key properties of naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid?
naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid has a molecular weight of 403.46 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-phenylphenyl)sulfonylcarbamic acid is sourced from PubChem (CID 70479488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).