N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide

C22H20ClN3O2S — CID 54283070

IUPACN-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-16-25-21-8-4-5-9-22(21)26(16)15-17-10-12-19(13-11-17)29(27,28)24-14-18-6-2-3-7-20(18)23/h2-13,24H,14-15H2,1H3
InChIKeyRSDKEPONFLAYKR-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.52
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide (PubChem CID 54283070) has the molecular formula C22H20ClN3O2S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
PubChem CID54283070
Molecular FormulaC22H20ClN3O2S
Molecular Weight425.94 g/mol
Exact Mass425.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C22H20ClN3O2S/c1-16-25-21-8-4-5-9-22(21)26(16)15-17-10-12-19(13-11-17)29(27,28)24-14-18-6-2-3-7-20(18)23/h2-13,24H,14-15H2,1H3
InChIKeyRSDKEPONFLAYKR-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
N-(benzenesulfonyl)-3-[3-[(2-chlorophenyl)methyl]-2-methylbenzimidazol-5-yl]propanamide
CID 18681167
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
sodium;N-heptan-2-yl-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide;hydride
CID 67626661
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
(2S)-2-amino-N-methyl-3-[3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]sulfonylphenyl]propanamide
CID 54417284
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide (CID 54283070) is N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide is Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide?
The InChIKey is RSDKEPONFLAYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2S/c1-16-25-21-8-4-5-9-22(21)26(16)15-17-10-12-19(13-11-17)29(27,28)24-14-18-6-2-3-7-20(18)23/h2-13,24H,14-15H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(2-methylbenzimidazol-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 54283070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).