3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide

C12H14ClN3O3S — CID 37498541

IUPAC3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ccnc2)cc1Cl
InChIInChI=1S/C12H14ClN3O3S/c1-19-12-3-2-10(8-11(12)13)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7H2,1H3
InChIKeySJLIMLJOZXSSII-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.52
Rot. Bonds6

About 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide

3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide (PubChem CID 37498541) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
PubChem CID37498541
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ccnc2)cc1Cl
InChIInChI=1S/C12H14ClN3O3S/c1-19-12-3-2-10(8-11(12)13)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7H2,1H3
InChIKeySJLIMLJOZXSSII-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide
CID 61325505
4-fluoro-N-(2-imidazol-1-ylethyl)-3-methoxybenzenesulfonamide
CID 86818502
3-(aminomethyl)-4-chloro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018159
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 30143287
4-amino-N-(2-imidazol-1-ylethyl)-2-methoxybenzenesulfonamide
CID 61325918
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
3-(aminomethyl)-4-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018089
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide (CID 37498541) is 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2ccnc2)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide?
The InChIKey is SJLIMLJOZXSSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-19-12-3-2-10(8-11(12)13)20(17,18)15-5-7-16-6-4-14-9-16/h2-4,6,8-9,15H,5,7H2,1H3.
What are the key properties of 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide has a molecular weight of 315.78 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-imidazol-1-ylethyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 37498541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).