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

C22H21N3O2S — CID 42957470

IUPACN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide
SMILESCc1nccn1Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H21N3O2S/c1-17-23-11-12-25(17)16-19-6-4-5-18(13-19)15-24-28(26,27)22-10-9-20-7-2-3-8-21(20)14-22/h2-14,24H,15-16H2,1H3
InChIKeyDNGQDBIAURKWQU-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.87
Rot. Bonds6

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

N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide (PubChem CID 42957470) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide
PubChem CID42957470
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide
SMILESCc1nccn1Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C22H21N3O2S/c1-17-23-11-12-25(17)16-19-6-4-5-18(13-19)15-24-28(26,27)22-10-9-20-7-2-3-8-21(20)14-22/h2-14,24H,15-16H2,1H3
InChIKeyDNGQDBIAURKWQU-UHFFFAOYSA-N
XLogP3.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide (CID 42957470) is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide is Cc1nccn1Cc1cccc(CNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
The InChIKey is DNGQDBIAURKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-17-23-11-12-25(17)16-19-6-4-5-18(13-19)15-24-28(26,27)22-10-9-20-7-2-3-8-21(20)14-22/h2-14,24H,15-16H2,1H3.
What are the key properties of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide?
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide has a molecular weight of 391.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42957470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).