N-(4-anilinophenyl)naphthalene-1-sulfonamide

C22H18N2O2S — CID 86182181

IUPACN-(4-anilinophenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2O2S/c25-27(26,22-12-6-8-17-7-4-5-11-21(17)22)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-16,23-24H
InChIKeyYDUOVNUTVMFNMI-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.38
Rot. Bonds5

About N-(4-anilinophenyl)naphthalene-1-sulfonamide

N-(4-anilinophenyl)naphthalene-1-sulfonamide (PubChem CID 86182181) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)naphthalene-1-sulfonamide
PubChem CID86182181
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(4-anilinophenyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C22H18N2O2S/c25-27(26,22-12-6-8-17-7-4-5-11-21(17)22)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-16,23-24H
InChIKeyYDUOVNUTVMFNMI-UHFFFAOYSA-N
XLogP5.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
(E)-N-hydroxy-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide
CID 10992230
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-[3-(2-phenylethoxy)phenyl]naphthalene-1-sulfonamide
CID 10294593
[4-(naphthalen-1-ylsulfonylamino)phenyl] 2-methylprop-2-enoate
CID 18668246
1-(hydroxymethyl)-N-phenylnaphthalene-2-sulfonamide
CID 146459884
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-sulfonamide
CID 122316916
N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122291729

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-anilinophenyl)naphthalene-1-sulfonamide (CID 86182181) is N-(4-anilinophenyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-anilinophenyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-anilinophenyl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(Nc2ccccc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(4-anilinophenyl)naphthalene-1-sulfonamide?
The InChIKey is YDUOVNUTVMFNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-27(26,22-12-6-8-17-7-4-5-11-21(17)22)24-20-15-13-19(14-16-20)23-18-9-2-1-3-10-18/h1-16,23-24H.
What are the key properties of N-(4-anilinophenyl)naphthalene-1-sulfonamide?
N-(4-anilinophenyl)naphthalene-1-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 86182181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).