N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C22H20ClN3O4S — CID 166335528

IUPACN-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C22H20ClN3O4S/c1-25-20-11-10-19(13-21(20)26(2)22(25)27)31(28,29)24-17-4-3-5-18(12-17)30-14-15-6-8-16(23)9-7-15/h3-13,24H,14H2,1-2H3
InChIKeyIXKYFEJPZAJUIR-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.91
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 166335528) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID166335528
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)ccc21
InChIInChI=1S/C22H20ClN3O4S/c1-25-20-11-10-19(13-21(20)26(2)22(25)27)31(28,29)24-17-4-3-5-18(12-17)30-14-15-6-8-16(23)9-7-15/h3-13,24H,14H2,1-2H3
InChIKeyIXKYFEJPZAJUIR-UHFFFAOYSA-N
XLogP3.91
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzimidazole-5-sulfonamide
CID 49369107
N-(3-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 49368704
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719368
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 118909781
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
5-chloro-N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylimidazole-4-sulfonamide
CID 134006766
2,6-dichloro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 122187088
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259468
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 166335528) is N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(OCc4ccc(Cl)cc4)c3)ccc21.
What is the InChIKey of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is IXKYFEJPZAJUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-25-20-11-10-19(13-21(20)26(2)22(25)27)31(28,29)24-17-4-3-5-18(12-17)30-14-15-6-8-16(23)9-7-15/h3-13,24H,14H2,1-2H3.
What are the key properties of N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 457.94 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 166335528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).