4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride

C26H25Cl2F2N3O4S — CID 22275873

IUPAC4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride
SMILESCOc1cccc(OCCCn2ccnc2)c1CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C26H24ClF2N3O4S.ClH/c1-35-25-4-2-5-26(36-15-3-13-31-14-12-30-18-31)22(25)17-32(24-16-20(28)8-11-23(24)29)37(33,34)21-9-6-19(27)7-10-21;/h2,4-12,14,16,18H,3,13,15,17H2,1H3;1H
InChIKeySFZXTAXIVCHRAK-UHFFFAOYSA-N
MW584.47 g/mol
LogP6.11
Rot. Bonds11

About 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride

4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride (PubChem CID 22275873) has the molecular formula C26H25Cl2F2N3O4S and a molecular weight of 584.47 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride
PubChem CID22275873
Molecular FormulaC26H25Cl2F2N3O4S
Molecular Weight584.47 g/mol
Exact Mass583.09
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride
SMILESCOc1cccc(OCCCn2ccnc2)c1CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C26H24ClF2N3O4S.ClH/c1-35-25-4-2-5-26(36-15-3-13-31-14-12-30-18-31)22(25)17-32(24-16-20(28)8-11-23(24)29)37(33,34)21-9-6-19(27)7-10-21;/h2,4-12,14,16,18H,3,13,15,17H2,1H3;1H
InChIKeySFZXTAXIVCHRAK-UHFFFAOYSA-N
XLogP6.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.47
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide
CID 22275486
N-[3-[2-[(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)methyl]phenoxy]propyl]-2-methoxy-N-methylbenzamide
CID 22276252
N-[[2-[3-(benzenesulfonyl)propoxy]phenyl]methyl]-4-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 22275678
4-bromo-N-(2,5-difluorophenyl)-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]benzenesulfonamide
CID 22276214
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
1-[3-(5-fluoro-2-nitrophenoxy)propyl]imidazole
CID 112728227
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 58941172
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 6493717

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride (CID 22275873) is 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride is COc1cccc(OCCCn2ccnc2)c1CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is SFZXTAXIVCHRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N3O4S.ClH/c1-35-25-4-2-5-26(36-15-3-13-31-14-12-30-18-31)22(25)17-32(24-16-20(28)8-11-23(24)29)37(33,34)21-9-6-19(27)7-10-21;/h2,4-12,14,16,18H,3,13,15,17H2,1H3;1H.
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride?
4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 584.47 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 22275873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).