N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide

C23H19N5O3S — CID 118867895

IUPACN-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1-c1ncc[nH]1
InChIInChI=1S/C23H19N5O3S/c1-31-22-14-18(9-10-19(22)23-24-11-12-25-23)32(29,30)27-16-5-4-6-17(13-16)28-15-26-20-7-2-3-8-21(20)28/h2-15,27H,1H3,(H,24,25)
InChIKeyBWWWESFJZWITLF-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.22
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide

N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide (PubChem CID 118867895) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide
PubChem CID118867895
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC NameN-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1-c1ncc[nH]1
InChIInChI=1S/C23H19N5O3S/c1-31-22-14-18(9-10-19(22)23-24-11-12-25-23)32(29,30)27-16-5-4-6-17(13-16)28-15-26-20-7-2-3-8-21(20)28/h2-15,27H,1H3,(H,24,25)
InChIKeyBWWWESFJZWITLF-UHFFFAOYSA-N
XLogP4.22
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide
CID 118867908
(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
CID 130437987
N-[4-(1H-imidazol-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 110726562
3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide
CID 139733667
4-chloro-N-[3-(1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 110726450
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide (CID 118867895) is N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1-c1ncc[nH]1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide?
The InChIKey is BWWWESFJZWITLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-31-22-14-18(9-10-19(22)23-24-11-12-25-23)32(29,30)27-16-5-4-6-17(13-16)28-15-26-20-7-2-3-8-21(20)28/h2-15,27H,1H3,(H,24,25).
What are the key properties of N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide?
N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide has a molecular weight of 445.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 118867895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).