N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide

C20H17N3O4S — CID 118867908

IUPACN-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O
InChIInChI=1S/C20H17N3O4S/c1-27-20-12-16(9-10-19(20)24)28(25,26)22-14-5-4-6-15(11-14)23-13-21-17-7-2-3-8-18(17)23/h2-13,22,24H,1H3
InChIKeyRXEFBYKDSWWRLC-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.54
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide

N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide (PubChem CID 118867908) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide
PubChem CID118867908
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O
InChIInChI=1S/C20H17N3O4S/c1-27-20-12-16(9-10-19(20)24)28(25,26)22-14-5-4-6-15(11-14)23-13-21-17-7-2-3-8-18(17)23/h2-13,22,24H,1H3
InChIKeyRXEFBYKDSWWRLC-UHFFFAOYSA-N
XLogP3.54
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(benzimidazol-1-yl)phenyl]-4-(1H-imidazol-2-yl)-3-methoxybenzenesulfonamide
CID 118867895
(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
CID 130437987
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
(2S)-N-[4-(benzimidazol-1-yl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24513087
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide (CID 118867908) is N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccc(-n3cnc4ccccc43)c2)ccc1O.
What is the InChIKey of N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide?
The InChIKey is RXEFBYKDSWWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-27-20-12-16(9-10-19(20)24)28(25,26)22-14-5-4-6-15(11-14)23-13-21-17-7-2-3-8-18(17)23/h2-13,22,24H,1H3.
What are the key properties of N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide?
N-[3-(benzimidazol-1-yl)phenyl]-4-hydroxy-3-methoxybenzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 3.54, 5 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-hydroxy-3-methoxybenzenesulfonamide is sourced from PubChem (CID 118867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).