sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride

C17H17ClN3NaO3S — CID 173089780

IUPACsodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C17H16ClN3O3S.Na.H/c1-2-24-14-7-3-12(4-8-14)16-17(18)20-11-21(16)13-5-9-15(10-6-13)25(19,22)23;;/h3-11H,2H2,1H3,(H2,19,22,23);;/q;+1;-1
InChIKeyNWTWHPRSBQARAC-UHFFFAOYSA-N
MW401.85 g/mol
LogP0.36
Rot. Bonds5

About sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride

sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride (PubChem CID 173089780) has the molecular formula C17H17ClN3NaO3S and a molecular weight of 401.85 g/mol. Its IUPAC name is sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride
PubChem CID173089780
Molecular FormulaC17H17ClN3NaO3S
Molecular Weight401.85 g/mol
Exact Mass401.06
IUPAC Namesodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride
SMILESCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1.[H-].[Na+]
InChIInChI=1S/C17H16ClN3O3S.Na.H/c1-2-24-14-7-3-12(4-8-14)16-17(18)20-11-21(16)13-5-9-15(10-6-13)25(19,22)23;;/h3-11H,2H2,1H3,(H2,19,22,23);;/q;+1;-1
InChIKeyNWTWHPRSBQARAC-UHFFFAOYSA-N
XLogP0.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonate
CID 23702360
4-[4-chloro-5-(3-chloro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
CID 10294269
4-chloro-1-(4-methylsulfonylphenyl)-5-(4-nitrophenyl)imidazole
CID 22600064
4-[4-chloro-5-(4-ethoxy-3-fluorophenyl)imidazol-1-yl]-N-dimethoxyphosphorylbenzenesulfonamide
CID 90946603
4-chloro-5-(4-fluoro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 10177830
4-(6-chloropurin-9-yl)benzenesulfonamide
CID 121379456
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
trisodium;[4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]phenyl]sulfonyl-phosphonatoazanide
CID 10098430
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611

Frequently Asked Questions

What is the IUPAC name of sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride?
The IUPAC name of sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride (CID 173089780) is sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride.
What is the SMILES notation for sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride?
The canonical SMILES for sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride is CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride?
The InChIKey is NWTWHPRSBQARAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S.Na.H/c1-2-24-14-7-3-12(4-8-14)16-17(18)20-11-21(16)13-5-9-15(10-6-13)25(19,22)23;;/h3-11H,2H2,1H3,(H2,19,22,23);;/q;+1;-1.
What are the key properties of sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride?
sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride has a molecular weight of 401.85 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[4-chloro-5-(4-ethoxyphenyl)imidazol-1-yl]benzenesulfonamide;hydride is sourced from PubChem (CID 173089780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).