3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C19H18N4O3S — CID 25341438

IUPAC3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nccn1C
InChIInChI=1S/C19H18N4O3S/c1-23-11-10-21-19(23)18(16-8-3-4-9-17(16)26-2)22-27(24,25)15-7-5-6-14(12-15)13-20/h3-12,18,22H,1-2H3/t18-/m1/s1
InChIKeyMWYZHVBLTDSCHV-GOSISDBHSA-N
MW382.45 g/mol
LogP2.37
Rot. Bonds6

About 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide

3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 25341438) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID25341438
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccccc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nccn1C
InChIInChI=1S/C19H18N4O3S/c1-23-11-10-21-19(23)18(16-8-3-4-9-17(16)26-2)22-27(24,25)15-7-5-6-14(12-15)13-20/h3-12,18,22H,1-2H3/t18-/m1/s1
InChIKeyMWYZHVBLTDSCHV-GOSISDBHSA-N
XLogP2.37
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 41015325
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 133331028
2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55492162
2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 18109382
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 46452551
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 40797952
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-nitrobenzenesulfonamide
CID 55456691
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 25341438) is 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is COc1ccccc1[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1nccn1C.
What is the InChIKey of 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is MWYZHVBLTDSCHV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-23-11-10-21-19(23)18(16-8-3-4-9-17(16)26-2)22-27(24,25)15-7-5-6-14(12-15)13-20/h3-12,18,22H,1-2H3/t18-/m1/s1.
What are the key properties of 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25341438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).