N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide

C19H19NO2S — CID 3997695

IUPACN-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NO2S/c1-14(2)15-7-10-18(11-8-15)20-23(21,22)19-12-9-16-5-3-4-6-17(16)13-19/h3-14,20H,1-2H3
InChIKeyORXBNMIKTYQHFM-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.76
Rot. Bonds4

About N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide

N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide (PubChem CID 3997695) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
PubChem CID3997695
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC NameN-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NO2S/c1-14(2)15-7-10-18(11-8-15)20-23(21,22)19-12-9-16-5-3-4-6-17(16)13-19/h3-14,20H,1-2H3
InChIKeyORXBNMIKTYQHFM-UHFFFAOYSA-N
XLogP4.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
N-hydroxy-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 86231375
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-[(2R)-1-(4-propan-2-ylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 124886214

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide (CID 3997695) is N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide?
The InChIKey is ORXBNMIKTYQHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-14(2)15-7-10-18(11-8-15)20-23(21,22)19-12-9-16-5-3-4-6-17(16)13-19/h3-14,20H,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide?
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 3997695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).