N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide

C22H22N2O3S — CID 7636178

IUPACN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O
InChIInChI=1S/C22H22N2O3S/c1-16-14-19(10-12-21(16)24-13-5-4-8-22(24)25)23-28(26,27)20-11-9-17-6-2-3-7-18(17)15-20/h2-3,6-7,9-12,14-15,23H,4-5,8,13H2,1H3
InChIKeyKSPRKTNQQVPUOP-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.47
Rot. Bonds4

About N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 7636178) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID7636178
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O
InChIInChI=1S/C22H22N2O3S/c1-16-14-19(10-12-21(16)24-13-5-4-8-22(24)25)23-28(26,27)20-11-9-17-6-2-3-7-18(17)15-20/h2-3,6-7,9-12,14-15,23H,4-5,8,13H2,1H3
InChIKeyKSPRKTNQQVPUOP-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7635888
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
2,4,5-trimethyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636155
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
5-methyl-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636189
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7635815
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
1-bromo-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]methanesulfonamide
CID 7636190

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 7636178) is N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is KSPRKTNQQVPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-14-19(10-12-21(16)24-13-5-4-8-22(24)25)23-28(26,27)20-11-9-17-6-2-3-7-18(17)15-20/h2-3,6-7,9-12,14-15,23H,4-5,8,13H2,1H3.
What are the key properties of N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide?
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 7636178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).