2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

C25H23ClN4O3S — CID 42921397

IUPAC2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29-16-15-27-24(29)23(18-9-5-3-6-10-18)28-25(31)21-17-20(13-14-22(21)26)34(32,33)30(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3,(H,28,31)
InChIKeyARMBOSLOCSQVIU-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.42
Rot. Bonds7

About 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 42921397) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID42921397
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29-16-15-27-24(29)23(18-9-5-3-6-10-18)28-25(31)21-17-20(13-14-22(21)26)34(32,33)30(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3,(H,28,31)
InChIKeyARMBOSLOCSQVIU-UHFFFAOYSA-N
XLogP4.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
2-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 25468462
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38079477
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 18102280
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (CID 42921397) is 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2ccccc2)c2nccn2C)c1.
What is the InChIKey of 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ARMBOSLOCSQVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-29-16-15-27-24(29)23(18-9-5-3-6-10-18)28-25(31)21-17-20(13-14-22(21)26)34(32,33)30(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3,(H,28,31).
What are the key properties of 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 495.00 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42921397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).